data_2nar_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 2nar _Structure_validation_residue.Date_analyzed 2017-01-06 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 ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.789 0.328 . . . . 65.040000000000006 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -113.84 27.12 9.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 73.409999999999997 110.899 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -100.58 -43.16 6.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 71.319999999999993 110.863 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.79 -72.85 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 71.340000000000003 110.912 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.06 61.82 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 62.119999999999997 110.859 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.9 t -58.33 -25.86 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 74.349999999999994 111.117 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.63 -8.25 59.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 72.099999999999994 111.101 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.46 -24.35 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 72.219999999999999 111.084 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.62 132.15 37.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 64.200000000000003 110.881 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.3 p -143.16 121.93 12.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 75.209999999999994 111.152 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 177.79 161.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 75.200000000000003 110.878 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.1 mmt-85 -75.93 -67.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 65.329999999999998 110.882 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.22 -45.82 17.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 73.540000000000006 111.105 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.23 -32.2 10.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 70.230000000000004 110.904 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.36 -47.57 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 61.219999999999999 111.065 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -55.93 -36.28 67.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.519999999999996 110.921 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -67.44 -45.52 75.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 75.049999999999997 110.889 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.22 -39.76 95.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 73.219999999999999 110.937 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.77 -34.95 69.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 74.519999999999996 111.116 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -51.54 -61.57 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 74.140000000000001 110.881 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -60.51 -21.89 62.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 54.450000000000003 110.916 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.5 mt -86.04 -10.9 54.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 72.120000000000005 110.942 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.2 mtm -104.45 -21.76 13.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 64.239999999999995 110.89 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.83 -51.41 1.65 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.748 . . . . 72.099999999999994 112.467 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -73.65 111.38 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 74.25 110.867 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -72.9 -50.33 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 74.329999999999998 110.906 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -27.93 57.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 75.109999999999999 110.898 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.6 tp -85.39 -54.98 4.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.310000000000002 110.919 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.37 -27.7 38.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 73.400000000000006 111.097 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.52 -41.44 80.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 63.109999999999999 110.855 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.82 -17.71 32.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 54.530000000000001 111.086 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.98 -56.69 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 72.420000000000002 111.14 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -29.47 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 73.450000000000003 110.943 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.8 -26.96 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 74.109999999999999 111.138 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.6 t90 -64.52 -56.92 10.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 74.019999999999996 110.914 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -47.13 -55.75 7.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 71.299999999999997 110.884 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -51.13 -38.04 49.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 73.349999999999994 110.949 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -54.72 -33.17 60.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 60.020000000000003 110.836 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -96.53 25.75 4.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 44.329999999999998 110.879 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.74 50.62 18.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.209999999999994 110.821 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.95 157.77 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 73.209999999999994 111.141 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 t -111.99 143.64 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 63.140000000000001 111.169 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -53.74 -43.88 69.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 74.099999999999994 110.933 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.75 -24.33 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 73.420000000000002 110.891 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -83.14 -66.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 73.430000000000007 110.936 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.0 mm -54.34 -29.72 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.450000000000003 111.1 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.49 -57.2 8.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 110.857 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.5 m -58.37 -19.66 37.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 75.319999999999993 111.097 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -86.26 -59.69 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.099999999999994 110.86 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.04 -47.66 82.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 75.129999999999995 110.941 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -50.76 -50.4 55.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.310000000000002 110.923 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.73 -25.49 18.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 64.129999999999995 110.917 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.439999999999998 111.11 179.826 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.461 -0.256 . . . . 71.140000000000001 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.08 -58.37 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 74.150000000000006 111.105 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -69.94 -10.94 60.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.239999999999995 110.909 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -66.58 -36.44 82.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 74.030000000000001 110.909 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -82.58 -13.89 55.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 75.239999999999995 110.896 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -70.21 -63.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 75.310000000000002 110.915 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -70.73 -23.05 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 75.120000000000005 111.121 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -85.45 -22.45 28.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 74.400000000000006 110.901 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.46 -29.67 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 71.450000000000003 110.884 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.7 m -52.64 -32.34 41.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 71.310000000000002 110.878 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -86.61 -60.11 2.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 74.340000000000003 110.973 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 42.9 mtp -49.56 -31.37 10.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 74.430000000000007 110.866 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.9 tpp -76.62 -40.98 47.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 73.230000000000004 110.882 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -48.73 72.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 74.329999999999998 110.872 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.49 -33.48 64.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.040000000000006 110.922 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 71.209999999999994 112.524 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.844 0.354 . . . . 71.299999999999997 110.92 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -113.55 31.48 6.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 72.439999999999998 110.886 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 85.3 mmm -106.54 -41.74 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 73.439999999999998 110.882 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.43 -73.37 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 73.150000000000006 110.874 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.35 62.3 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 75.230000000000004 110.915 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 t -58.19 -26.88 30.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 74.329999999999998 111.138 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.08 -8.02 58.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 61.229999999999997 111.066 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.61 -24.74 7.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 70.209999999999994 111.115 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.02 130.18 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 74.349999999999994 110.917 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.3 p -143.75 121.66 12.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 74.430000000000007 111.115 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tptp 178.84 162.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.88 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -76.66 -66.98 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 64.099999999999994 110.903 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.14 -48.0 13.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 75.310000000000002 111.091 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.44 -53.78 16.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 70.230000000000004 110.88 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.06 -24.65 65.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 72.430000000000007 111.104 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -76.38 -27.94 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 74.409999999999997 110.879 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -79.45 -32.78 42.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 75.140000000000001 110.895 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.0 -43.11 83.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 73.540000000000006 110.874 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.01 -25.6 61.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 71.099999999999994 111.098 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -55.51 -60.26 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 73.219999999999999 110.894 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -62.47 -29.99 70.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 75.299999999999997 110.888 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.6 mt -73.47 -23.27 60.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 74.120000000000005 110.891 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 78.6 mtp -91.38 -21.2 21.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 72.319999999999993 110.866 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.85 -53.05 1.33 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 72.140000000000001 112.459 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -71.7 114.67 10.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.855 0.36 . . . . 63.210000000000001 110.899 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.96 -49.05 14.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 72.010000000000005 110.874 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -28.11 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 75.329999999999998 110.899 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.2 tp -85.59 -51.67 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 75.319999999999993 110.921 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.39 -29.12 57.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 75.230000000000004 111.097 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.32 -41.3 79.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.430000000000007 110.836 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.86 -17.88 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 63.340000000000003 111.116 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.97 -57.39 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 64.430000000000007 111.093 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.48 -29.47 16.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 74.420000000000002 110.911 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.97 -29.92 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 74.349999999999994 111.137 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -61.16 -55.33 33.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 75.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -46.89 -52.74 13.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 72.420000000000002 110.903 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -50.83 -38.25 47.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 73.409999999999997 110.922 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -54.65 -33.68 61.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 74.329999999999998 110.855 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -95.44 25.2 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 54.43 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 51.39 43.57 29.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 71.530000000000001 110.844 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.71 153.23 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 72.430000000000007 111.12 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.1 t -109.02 143.59 38.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 71.430000000000007 111.127 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.7 -42.39 71.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 73.340000000000003 110.916 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -57.38 -22.95 46.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 72.450000000000003 110.919 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -66.27 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 74.510000000000005 110.904 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.6 mm -55.27 -29.05 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 75.340000000000003 111.117 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -71.01 -29.47 65.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 72.530000000000001 110.871 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.1 m -86.94 -19.73 28.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 74.5 111.129 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -86.47 -64.13 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.319999999999993 110.922 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.98 -49.24 69.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 75.409999999999997 110.94 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -51.41 -50.39 59.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 71.530000000000001 110.957 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.03 -24.61 25.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.230000000000004 110.952 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 64.0 111.117 179.764 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.488 -0.245 . . . . 73.150000000000006 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.27 -58.6 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 74.430000000000007 111.043 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -10.77 59.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 73.239999999999995 110.925 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -34.5 78.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 74.439999999999998 110.926 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.53 -13.81 56.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.030000000000001 110.897 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -67.89 -63.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 73.209999999999994 110.875 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -20.64 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 74.099999999999994 111.133 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -85.22 -21.62 29.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 74.409999999999997 110.912 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -46.75 -34.61 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 75.25 110.914 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.1 m -52.11 -42.22 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 72.319999999999993 110.866 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -67.6 -60.79 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.420000000000002 110.894 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 33.6 mtp -52.4 -29.21 23.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 75.340000000000003 110.856 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -70.68 -38.19 73.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 55.240000000000002 110.863 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -73.33 -48.08 37.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 70.439999999999998 110.908 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.23 -32.74 73.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 75.519999999999996 110.927 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 62.149999999999999 112.472 179.845 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.868 0.366 . . . . 75.349999999999994 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -114.08 24.28 12.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 74.120000000000005 110.883 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 mmt -97.76 -42.52 7.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 75.439999999999998 110.861 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.31 -73.16 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 73.319999999999993 110.886 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 49.94 63.38 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 62.420000000000002 110.861 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 t -59.77 -27.03 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 74.140000000000001 111.112 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.05 -8.06 58.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 72.439999999999998 111.111 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.07 -24.27 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 75.150000000000006 111.115 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.14 131.75 37.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.129999999999995 110.95 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.0 p -143.42 121.93 12.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 65.439999999999998 111.171 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.77 158.72 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 71.439999999999998 110.953 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -76.16 -60.74 2.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 74.209999999999994 110.891 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.53 -48.65 13.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.209999999999994 111.096 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.31 -56.72 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 75.439999999999998 110.871 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.69 -30.43 69.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 74.340000000000003 111.126 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -73.34 -28.26 61.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 74.340000000000003 110.879 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.65 -36.9 37.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 71.400000000000006 110.872 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt -65.91 -47.58 74.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 72.099999999999994 110.902 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.41 -25.44 65.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 71.329999999999998 111.096 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -54.0 -61.66 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.450000000000003 110.906 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -64.01 -32.8 74.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 65.439999999999998 110.912 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.8 mt -66.79 -26.17 66.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.219999999999999 110.912 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 58.5 mtm -94.12 3.2 55.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 74.329999999999998 110.899 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.42 -55.82 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 75.040000000000006 112.457 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -74.65 115.98 14.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 73.430000000000007 110.871 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -75.74 -39.31 57.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 51.409999999999997 110.856 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -34.22 75.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 73.329999999999998 110.89 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -84.72 -52.94 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 74.010000000000005 110.976 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.64 -35.3 41.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 74.209999999999994 111.135 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -56.44 -39.65 73.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 62.420000000000002 110.868 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.64 -18.76 30.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.340000000000003 111.092 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.89 -57.65 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 63.109999999999999 111.085 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.82 -29.08 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 74.349999999999994 110.942 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.74 -29.69 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 75.5 111.121 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -62.19 -55.35 29.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 74.530000000000001 110.921 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -47.17 -55.17 8.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 73.319999999999993 110.879 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -51.15 -41.23 59.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 74.319999999999993 110.952 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -31.93 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 64.540000000000006 110.845 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.42 24.98 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 73.120000000000005 110.878 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 51.39 54.18 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 73.420000000000002 110.828 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.84 157.74 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 64.420000000000002 111.144 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.8 t -114.67 143.97 44.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 71.299999999999997 111.123 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.11 -43.0 66.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 74.519999999999996 110.893 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.24 -24.15 58.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 71.400000000000006 110.907 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -65.97 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 74.310000000000002 110.937 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.6 mm -53.2 -39.17 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.409999999999997 111.127 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -57.04 -57.39 12.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 71.319999999999993 110.865 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.2 m -56.73 -20.55 22.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 64.219999999999999 111.124 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -85.92 -65.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 70.349999999999994 110.862 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.78 -48.07 78.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 72.530000000000001 110.906 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -50.56 -52.03 42.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 74.030000000000001 110.874 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.55 -25.46 26.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 74.230000000000004 110.889 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.340000000000003 111.137 179.768 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.489 -0.245 . . . . 44.439999999999998 112.489 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.73 -58.73 5.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 55.329999999999998 111.058 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -70.54 -15.09 62.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 74.340000000000003 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.36 -31.72 73.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 75.219999999999999 110.936 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.7 -13.9 55.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 74.510000000000005 110.879 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -73.24 -63.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 75.409999999999997 110.884 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -24.02 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.319999999999993 111.1 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -85.45 -22.81 28.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 73.409999999999997 110.942 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -50.41 -30.67 12.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 73.310000000000002 110.862 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 m -54.49 -28.82 47.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 61.219999999999999 110.885 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -84.34 -57.88 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 74.439999999999998 110.873 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.3 mtt -50.12 -33.54 19.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 75.219999999999999 110.873 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.1 ptp -79.8 -34.48 39.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 75.129999999999995 110.876 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -53.65 -60.88 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 75.019999999999996 110.871 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.3 mp -78.64 -33.56 47.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 63.130000000000003 110.938 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 73.209999999999994 112.49 179.846 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.79 0.329 . . . . 71.349999999999994 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -111.38 29.96 7.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 110.874 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mmt -106.27 -39.89 5.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 71.409999999999997 110.898 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.22 -70.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 75.329999999999998 110.894 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 47.26 61.22 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.340000000000003 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.0 t -58.09 -26.86 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 65.299999999999997 111.092 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.71 -7.73 58.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 73.230000000000004 111.042 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.24 -14.8 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 70.030000000000001 111.127 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.41 150.4 20.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 70.349999999999994 110.886 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.8 p -141.61 -172.68 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 64.439999999999998 111.164 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.7 mttp 70.88 140.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 65.340000000000003 110.895 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -74.44 -33.1 62.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.239999999999995 110.904 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.03 -60.41 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 72.409999999999997 111.091 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -58.67 -39.19 79.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.340000000000003 110.86 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.48 -51.94 45.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 73.230000000000004 111.087 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.84 -29.34 54.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 74.030000000000001 110.908 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -73.31 -30.47 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 74.150000000000006 110.88 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 mt -87.09 -30.38 21.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 75.140000000000001 110.902 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.99 -25.13 43.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.329999999999998 111.121 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -21.84 64.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 75.319999999999993 110.865 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -103.02 -22.95 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 71.319999999999993 110.929 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.4 mt -80.99 -2.57 48.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 75.239999999999995 110.931 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 34.3 mtm -118.89 -32.47 4.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 65.329999999999998 110.9 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.51 -20.28 64.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.746 . . . . 72.019999999999996 112.495 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -116.41 112.99 22.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 73.349999999999994 110.893 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -78.57 -21.9 47.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 53.210000000000001 110.856 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -69.0 -42.13 76.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 74.430000000000007 110.876 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.3 tp -83.08 -47.36 11.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 71.200000000000003 110.947 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.83 -31.68 28.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 60.439999999999998 111.083 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.94 -41.58 83.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 63.219999999999999 110.87 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.18 -17.48 34.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 74.030000000000001 111.084 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.81 -57.68 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 70.120000000000005 111.116 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -52.31 -28.29 18.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 73.219999999999999 110.946 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -86.01 -30.33 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 72.140000000000001 111.178 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -63.76 -53.96 42.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 72.540000000000006 110.883 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -47.22 -54.98 9.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 72.409999999999997 110.879 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -51.2 -38.17 50.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 75.319999999999993 110.912 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -55.34 -32.54 62.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 74.450000000000003 110.855 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -96.93 25.78 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 72.239999999999995 110.894 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 51.71 55.01 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 75.219999999999999 110.855 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.35 152.11 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 71.010000000000005 111.168 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 t -108.27 145.41 34.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.420000000000002 111.129 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -54.93 -43.14 73.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 70.239999999999995 110.922 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.46 -23.12 47.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 73.409999999999997 110.822 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -83.18 -65.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 73.120000000000005 110.897 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.8 mm -54.91 -43.1 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 111.095 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -57.54 -28.45 63.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 75.420000000000002 110.841 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.7 m -86.76 -19.45 29.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 75.530000000000001 111.14 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -85.8 -45.48 11.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.200000000000003 110.873 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -49.38 24.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 74.109999999999999 110.89 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -50.39 -48.49 55.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 73.030000000000001 110.92 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -28.11 13.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 72.510000000000005 110.893 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 75.439999999999998 111.076 179.796 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.504 -0.239 . . . . 45.25 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.32 -58.44 4.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 75.120000000000005 111.093 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -10.86 60.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 74.129999999999995 110.872 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -34.93 79.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 74.239999999999995 110.879 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -80.86 -12.88 59.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 75.25 110.866 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.8 -63.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 72.219999999999999 110.906 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.37 -20.99 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 73.140000000000001 111.109 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -84.74 -22.52 29.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 74.140000000000001 110.929 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -50.52 -28.79 9.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 61.340000000000003 110.891 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -51.91 -30.67 25.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 72.430000000000007 110.85 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -86.94 -61.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.109999999999999 110.92 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.6 -31.34 10.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 74.319999999999993 110.889 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.7 tpt -76.69 -46.32 26.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 74.319999999999993 110.818 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -53.16 -63.01 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 74.340000000000003 110.879 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.88 -30.23 70.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 74.409999999999997 110.94 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 71.310000000000002 112.486 179.92 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.851 0.357 . . . . 74.329999999999998 110.922 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -109.75 24.66 12.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 74.099999999999994 110.881 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 21.5 mmt -97.5 -38.06 9.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 71.420000000000002 110.879 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.15 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 73.219999999999999 110.899 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.4 p30 40.7 66.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 64.310000000000002 110.887 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 t -65.53 -28.35 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 72.010000000000005 111.099 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.0 -8.36 59.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 75.209999999999994 111.11 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.74 -12.75 12.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 70.519999999999996 111.098 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.8 136.87 41.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 74.129999999999995 110.925 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.8 p -142.96 121.73 12.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 74.510000000000005 111.109 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.12 160.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 63.140000000000001 110.852 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -76.69 -67.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 75.040000000000006 110.838 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.89 -46.85 14.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 74.450000000000003 111.111 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -48.4 -32.85 8.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 72.329999999999998 110.885 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.32 -40.04 45.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 62.340000000000003 111.142 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -37.38 87.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 71.120000000000005 110.907 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -62.54 -57.85 9.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 75.450000000000003 110.884 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mt -51.84 -30.74 24.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 74.25 110.897 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.29 -37.17 38.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.239999999999995 111.117 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.73 -60.13 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 75.299999999999997 110.884 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -53.87 -33.14 55.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 71.400000000000006 110.902 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.1 mt -74.41 -28.36 61.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 74.129999999999995 110.926 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 67.4 mtp -96.82 4.49 51.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.430000000000007 110.862 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.53 -21.94 4.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 74.209999999999994 112.469 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -124.74 118.55 26.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.328 . . . . 71.019999999999996 110.946 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -78.3 -23.3 47.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 65.430000000000007 110.861 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -67.02 -38.8 86.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 73.430000000000007 110.878 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.9 tp -85.32 -47.04 10.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 71.400000000000006 110.884 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.78 -32.6 31.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 71.120000000000005 111.095 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -56.41 -40.79 75.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.209999999999994 110.897 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.4 -18.13 32.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 65.439999999999998 111.148 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.88 -58.05 3.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 62.340000000000003 111.119 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -29.05 15.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 75.510000000000005 110.903 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.37 -32.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 73.420000000000002 111.111 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -62.04 -51.1 69.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 75.25 110.909 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -49.5 -51.86 33.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 74.019999999999996 110.903 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.04 -30.47 61.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 73.519999999999996 110.864 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -59.79 -25.48 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 74.239999999999995 110.866 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -107.5 25.82 11.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 73.099999999999994 110.896 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 51.75 51.53 16.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 74.510000000000005 110.856 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.49 147.34 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.450000000000003 111.184 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 t -104.65 143.59 32.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 72.219999999999999 111.147 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -53.0 -44.54 67.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 73.549999999999997 110.916 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -55.61 -24.91 35.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 63.020000000000003 110.896 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.39 -66.67 0.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 73.519999999999996 110.932 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.7 mm -52.32 -40.32 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.239999999999995 111.181 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -56.17 -56.27 22.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 73.019999999999996 110.854 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.4 m -57.9 -19.92 33.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 75.310000000000002 111.092 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -85.93 -62.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 71.420000000000002 110.902 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.7 -47.17 86.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 74.319999999999993 110.895 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -51.02 -51.0 57.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 74.109999999999999 110.909 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.24 -25.25 22.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 64.049999999999997 110.912 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 74.120000000000005 111.063 179.821 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.548 -0.221 . . . . 73.140000000000001 112.548 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.32 -58.67 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 75.140000000000001 111.106 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -71.77 -9.88 58.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 74.129999999999995 110.898 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.5 -35.53 77.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 75.019999999999996 110.954 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -82.68 -13.88 55.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 75.239999999999995 110.89 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -67.98 -63.31 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 75.310000000000002 110.915 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -21.2 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.200000000000003 111.174 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -85.38 -22.41 28.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 74.349999999999994 110.92 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -50.36 -30.38 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 74.310000000000002 110.889 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 t -54.43 -28.91 47.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 73.150000000000006 110.876 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -86.47 -61.64 1.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.118 -0.492 . . . . 72.450000000000003 110.946 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 43.7 mtp -51.17 -30.47 16.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 75.109999999999999 110.899 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.9 ttt -75.5 -45.13 40.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 74.120000000000005 110.902 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -52.51 -58.07 7.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 75.030000000000001 110.871 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.5 mp -73.52 -31.53 63.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 75.349999999999994 110.896 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 75.099999999999994 112.511 179.919 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.828 0.347 . . . . 75.439999999999998 110.953 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -115.61 29.71 7.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 71.299999999999997 110.899 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.9 mmt -101.44 -41.88 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 73.540000000000006 110.899 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.51 -73.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 71.200000000000003 110.903 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 48.29 66.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 73.510000000000005 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.8 m -59.53 -18.55 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 71.219999999999999 111.105 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.48 -8.78 57.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.219999999999999 111.099 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.04 -22.76 7.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 75.530000000000001 111.139 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.28 133.93 35.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 74.109999999999999 110.919 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.9 p -142.61 122.48 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 65.329999999999998 111.129 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.28 152.56 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 75.319999999999993 110.881 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -76.46 -67.7 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.842 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.77 -47.89 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 72.409999999999997 111.123 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -48.45 21.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 71.400000000000006 110.869 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.55 98.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 75.010000000000005 111.103 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.51 -27.99 51.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 72.129999999999995 110.848 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -77.19 -49.84 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 74.329999999999998 110.884 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -51.25 -37.21 45.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 70.400000000000006 110.904 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.16 -28.27 42.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 111.069 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -51.99 -60.8 2.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 74.299999999999997 110.93 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -61.4 -28.38 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 75.010000000000005 110.882 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.6 mt -75.68 -19.69 58.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 75.209999999999994 110.945 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.0 mtm -95.68 -22.66 17.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 65.430000000000007 110.849 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.2 -46.78 2.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 63.340000000000003 112.479 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -80.11 109.69 14.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 74.439999999999998 110.893 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -72.57 -51.14 21.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 71.120000000000005 110.875 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -29.26 31.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 72.040000000000006 110.937 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.5 tp -85.61 -49.07 8.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 70.349999999999994 110.888 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.51 -26.18 60.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 72.239999999999995 111.109 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.44 -40.38 90.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 70.420000000000002 110.869 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.78 -19.65 28.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.439999999999998 111.105 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.77 -56.44 4.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 61.229999999999997 111.061 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.46 -30.1 18.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 64.219999999999999 110.892 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.86 -29.27 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 63.030000000000001 111.18 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -59.7 -59.27 5.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 75.420000000000002 110.892 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -46.28 -55.64 6.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.431 . . . . 72.519999999999996 110.867 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -50.81 -40.08 54.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 74.409999999999997 110.918 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -54.93 -32.79 61.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 75.519999999999996 110.901 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -95.47 25.06 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 110.879 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 51.71 51.81 15.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 110.876 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.2 151.8 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 75.409999999999997 111.152 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 t -105.99 143.91 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.430000000000007 111.188 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.3 -39.0 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 74.329999999999998 110.931 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -61.22 -21.44 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 64.420000000000002 110.891 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -83.27 -66.08 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 74.519999999999996 110.899 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.0 mm -54.51 -44.47 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 73.5 111.177 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -56.6 -23.66 42.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 73.0 110.901 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.8 m -87.08 -26.86 23.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 75.099999999999994 111.185 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -85.71 -64.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 74.430000000000007 110.854 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 mt -49.45 -51.65 34.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 75.140000000000001 110.969 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.69 -47.39 63.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 75.349999999999994 110.904 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.44 -25.58 25.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 70.299999999999997 110.907 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 71.549999999999997 111.075 179.805 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.505 -0.238 . . . . 72.450000000000003 112.505 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.54 -58.36 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.373 . . . . 73.340000000000003 111.114 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.58 -12.88 61.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 74.230000000000004 110.88 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -35.5 78.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 75.409999999999997 110.901 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -81.85 -13.19 57.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 70.019999999999996 110.935 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -63.54 1.04 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 75.030000000000001 110.913 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -21.84 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 72.439999999999998 111.167 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -85.12 -22.27 28.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 73.540000000000006 110.924 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -49.96 -30.01 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 73.120000000000005 110.905 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.6 m -53.53 -31.89 48.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 63.100000000000001 110.876 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -86.5 -60.62 1.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 74.430000000000007 110.969 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.6 mmm -49.84 -31.82 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 64.349999999999994 110.884 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.2 ttt -75.98 -44.54 39.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.129999999999995 110.876 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -61.29 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 72.209999999999994 110.861 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.9 mp -68.34 -30.56 69.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 75.120000000000005 110.882 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 75.109999999999999 112.473 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.84 0.352 . . . . 74.340000000000003 110.874 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -107.38 21.32 17.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 65.109999999999999 110.883 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 85.9 mmm -84.95 -40.24 17.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 75.519999999999996 110.876 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -142.92 -73.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 73.239999999999995 110.846 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 48.15 66.04 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 73.319999999999993 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.9 m -59.4 -19.52 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 75.329999999999998 111.165 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.36 -8.92 58.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.120000000000005 111.14 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.52 -22.09 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 60.200000000000003 111.09 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.64 137.35 32.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 72.519999999999996 110.901 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.7 p -142.39 120.75 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 62.509999999999998 111.134 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 174.32 140.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 75.409999999999997 110.917 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -74.92 -44.76 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 75.230000000000004 110.839 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.76 -53.24 6.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 73.349999999999994 111.077 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -49.11 -55.49 12.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 71.349999999999994 110.886 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.29 -29.82 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 74.409999999999997 111.133 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -40.53 77.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.239999999999995 110.875 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -79.65 -30.49 41.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 74.420000000000002 110.903 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.6 mt -66.56 -53.54 33.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.907 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.46 -25.03 64.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 75.329999999999998 111.032 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -50.93 -61.62 2.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 75.340000000000003 110.916 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -60.7 -26.63 67.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 73.120000000000005 110.891 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 77.6 mt -74.73 -26.17 59.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 71.400000000000006 110.91 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.8 mtp -94.77 4.99 53.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 72.030000000000001 110.898 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.02 -47.15 0.31 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 75.219999999999999 112.518 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -82.47 114.13 20.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 71.450000000000003 110.894 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -70.07 -48.87 56.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 74.25 110.917 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -24.19 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 74.329999999999998 110.892 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.2 tp -85.79 -56.07 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.140000000000001 110.929 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.21 -30.3 59.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 73.510000000000005 111.076 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.26 -40.72 86.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 61.039999999999999 110.907 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.76 -19.32 29.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 61.25 111.094 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.64 -56.07 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 73.010000000000005 111.101 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.79 -30.28 32.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.430000000000007 110.963 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.68 -25.05 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 70.040000000000006 111.134 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -66.34 -55.05 17.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 72.340000000000003 110.894 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -46.59 -54.77 8.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 74.040000000000006 110.914 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -51.92 -37.46 52.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 63.350000000000001 110.899 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -55.36 -34.56 64.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 70.010000000000005 110.888 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.72 22.69 6.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 74.340000000000003 110.897 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 54.81 52.7 11.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.439999999999998 110.848 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.02 149.18 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 74.329999999999998 111.098 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.3 t -106.15 144.51 32.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 54.549999999999997 111.135 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -53.07 -41.99 65.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.099999999999994 110.92 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.77 -22.47 47.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 71.409999999999997 110.83 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -83.18 -65.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 71.030000000000001 110.915 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.4 mm -55.63 -48.54 77.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 111.167 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -52.87 -27.08 16.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 74.430000000000007 110.857 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 70.2 m -87.14 -29.04 22.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 65.450000000000003 111.133 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -78.31 -62.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 73.030000000000001 110.869 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 mt -53.57 -49.93 66.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 64.25 110.927 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -50.06 -56.33 11.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 75.540000000000006 110.918 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -24.91 22.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 73.120000000000005 110.942 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.349999999999994 111.093 179.761 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.526 -0.229 . . . . 74.340000000000003 112.526 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.9 -58.44 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 71.409999999999997 111.099 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -69.98 -10.75 59.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.209999999999994 110.922 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -36.65 84.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 75.439999999999998 110.876 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -81.52 -13.44 58.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 74.230000000000004 110.856 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -68.52 -63.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 110.949 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -21.88 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 71.239999999999995 111.156 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -85.19 -22.5 28.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 73.409999999999997 110.923 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -50.0 -31.11 11.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 73.439999999999998 110.879 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.9 m -53.91 -31.47 50.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 73.420000000000002 110.822 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -86.44 -61.13 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 73.319999999999993 110.932 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 56.9 mtp -49.53 -32.17 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 64.409999999999997 110.86 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.6 ttt -74.68 -41.48 60.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 72.209999999999994 110.881 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -57.83 -55.35 36.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 71.540000000000006 110.87 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.13 -30.31 70.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 74.239999999999995 110.904 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.755 -0.736 . . . . 65.219999999999999 112.475 179.878 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.794 0.33 . . . . 75.219999999999999 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -113.05 26.22 10.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 61.030000000000001 110.875 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mmt -99.49 -42.3 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.519999999999996 110.872 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.87 -73.15 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 75.140000000000001 110.914 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.49 61.61 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 74.129999999999995 110.904 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 t -58.34 -26.72 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 74.549999999999997 111.142 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.28 -8.06 58.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.040000000000006 111.098 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.68 -24.67 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 73.409999999999997 111.071 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.7 131.48 37.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 74.400000000000006 110.906 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 42.8 p -143.12 121.89 12.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 70.120000000000005 111.161 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tptt 178.95 162.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 74.140000000000001 110.934 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -76.77 -67.84 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 74.299999999999997 110.879 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.95 -47.65 13.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 65.120000000000005 111.063 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -47.71 -33.8 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 74.219999999999999 110.859 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.14 -48.36 24.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 45.119999999999997 111.084 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.25 -39.0 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 74.200000000000003 110.911 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -62.8 -26.17 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 75.319999999999993 110.894 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.2 mt -82.17 -45.64 14.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 74.209999999999994 110.904 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.26 -25.19 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 75.109999999999999 111.103 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -54.32 -58.98 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 72.239999999999995 110.939 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -66.65 -30.36 70.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 74.329999999999998 110.896 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.0 mt -71.61 -21.06 61.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 74.010000000000005 110.915 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 54.9 mtm -93.92 -21.67 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 75.450000000000003 110.926 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.03 -57.09 1.04 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 63.439999999999998 112.478 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -65.76 114.78 5.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 65.129999999999995 110.871 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -78.06 -48.95 14.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 64.120000000000005 110.875 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -28.02 64.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 64.530000000000001 110.929 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.2 tp -85.74 -56.14 3.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.140000000000001 110.881 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.64 -30.09 20.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.439999999999998 111.11 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -56.76 -40.76 76.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 75.430000000000007 110.876 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.44 -18.31 32.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 72.549999999999997 111.098 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.8 -57.1 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 60.100000000000001 111.087 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.84 -29.23 26.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.349999999999994 110.964 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.66 -26.29 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 74.120000000000005 111.086 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -67.31 -53.88 25.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 74.329999999999998 110.923 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -47.3 -54.46 10.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 75.209999999999994 110.925 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.92 -36.24 48.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 73.340000000000003 110.911 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -56.53 -34.03 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 65.430000000000007 110.889 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.11 25.83 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 73.549999999999997 110.832 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 51.62 51.48 16.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 74.310000000000002 110.858 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.66 158.06 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 65.230000000000004 111.095 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.1 t -115.97 143.82 44.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 73.400000000000006 111.174 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -52.35 -45.71 65.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.140000000000001 110.865 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -55.5 -25.56 37.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 72.140000000000001 110.854 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -83.03 -66.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 75.510000000000005 110.913 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.3 mm -53.81 -27.66 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 74.310000000000002 111.137 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.74 -56.62 9.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 72.420000000000002 110.85 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.4 p -57.85 -20.12 33.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 72.109999999999999 111.142 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -86.26 -61.3 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 75.120000000000005 110.845 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.06 -47.51 86.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 75.439999999999998 110.928 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.0 -50.39 58.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.230000000000004 110.893 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.84 -25.01 17.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 64.109999999999999 110.916 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 72.420000000000002 111.099 179.796 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.476 -0.25 . . . . 71.430000000000007 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.31 -58.53 3.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 70.010000000000005 111.078 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -68.45 -14.75 63.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 73.329999999999998 110.877 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.05 -37.16 83.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 72.239999999999995 110.928 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -82.48 -13.91 55.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 64.420000000000002 110.875 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -63.23 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 71.140000000000001 110.904 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -23.16 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.129999999999995 111.105 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -85.47 -22.41 28.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 73.430000000000007 110.931 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.41 -31.31 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 64.400000000000006 110.928 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 t -52.29 -30.5 28.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 64.010000000000005 110.838 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -86.43 -60.04 2.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 73.239999999999995 110.897 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 47.8 mtp -50.44 -31.21 14.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 74.430000000000007 110.895 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.2 tpt -77.8 -42.4 33.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.040000000000006 110.893 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -57.01 -62.59 1.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 110.873 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.32 -31.81 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 75.299999999999997 110.926 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.722 -0.751 . . . . 65.120000000000005 112.547 179.923 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.819 0.343 . . . . 74.310000000000002 110.9 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -113.94 22.57 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 65.140000000000001 110.905 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 21.0 mmt -100.0 -38.9 8.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 73.019999999999996 110.922 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.88 -66.93 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 75.319999999999993 110.836 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.4 p30 40.71 66.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.219999999999999 110.888 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.6 t -66.08 -29.19 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 73.329999999999998 111.134 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.97 -8.39 59.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 60.409999999999997 111.093 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.43 -13.14 12.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 111.092 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.85 138.54 39.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 71.420000000000002 110.936 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.2 p -142.75 121.72 12.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 71.319999999999993 111.133 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 177.6 155.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 71.030000000000001 110.906 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -76.23 -67.75 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 72.5 110.847 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.71 -46.74 15.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 71.120000000000005 111.113 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -48.78 -32.03 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 73.219999999999999 110.849 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.41 -53.96 20.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 65.209999999999994 111.068 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.03 -29.53 60.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 61.530000000000001 110.865 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -59.01 -35.0 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 74.420000000000002 110.944 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mt -87.14 -40.51 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 110.922 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.61 -25.44 67.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 74.219999999999999 111.077 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -61.63 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 73.340000000000003 110.938 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -58.86 -32.02 69.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 71.319999999999993 110.9 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.37 -25.15 62.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 73.450000000000003 110.948 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.0 mtm -97.38 2.86 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 71.230000000000004 110.834 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.19 -43.38 0.66 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 63.32 112.513 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -86.51 112.01 21.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.337 . . . . 71.530000000000001 110.915 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -72.1 -29.95 64.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 72.25 110.885 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -37.19 62.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 72.099999999999994 110.905 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.1 tp -77.69 -52.02 9.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 73.420000000000002 110.918 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.79 -34.47 53.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 74.409999999999997 111.073 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.35 -40.71 71.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 74.409999999999997 110.823 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.17 -18.2 32.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 75.010000000000005 111.116 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.79 -57.75 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 75.239999999999995 111.096 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -52.31 -28.94 21.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 72.430000000000007 110.92 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.57 -28.67 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 73.450000000000003 111.141 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -67.14 -49.94 63.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 65.239999999999995 110.923 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -49.37 -55.56 12.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 73.409999999999997 110.919 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.41 -33.6 54.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 75.230000000000004 110.895 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -57.17 -29.23 63.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 75.319999999999993 110.828 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -101.08 25.38 8.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 73.530000000000001 110.881 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 52.64 49.19 20.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 75.239999999999995 110.851 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.79 157.48 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 72.010000000000005 111.144 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 t -115.51 143.7 44.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 75.120000000000005 111.147 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.66 -45.28 66.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 75.319999999999993 110.887 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -55.27 -25.45 33.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 64.439999999999998 110.876 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -83.23 -66.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 110.946 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.1 mm -52.54 -41.99 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 62.450000000000003 111.106 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -55.67 -55.98 25.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 64.010000000000005 110.879 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 46.5 m -58.19 -19.79 36.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 65.230000000000004 111.163 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -85.98 -61.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 73.239999999999995 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.4 -47.25 86.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 75.349999999999994 110.862 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -51.05 -49.15 61.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 75.040000000000006 110.888 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.25 -24.97 20.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 73.299999999999997 110.91 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 75.400000000000006 111.082 179.815 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.502 -0.239 . . . . 63.210000000000001 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.49 -58.34 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 73.140000000000001 111.073 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -68.82 -11.74 60.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 110.911 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -34.42 78.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 75.299999999999997 110.888 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -82.62 -14.13 55.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 75.030000000000001 110.929 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -69.21 -63.24 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 72.400000000000006 110.887 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -21.91 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.049999999999997 111.156 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -85.71 -22.84 27.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 75.349999999999994 110.919 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -49.4 -32.19 11.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 71.310000000000002 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.5 m -53.18 -34.73 58.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 70.129999999999995 110.869 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -78.84 -59.74 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 71.150000000000006 110.897 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.5 mtm -50.6 -30.89 14.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.439999999999998 110.834 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.9 mmm -76.37 -51.19 12.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 75.409999999999997 110.845 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -52.21 -46.31 65.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 70.329999999999998 110.845 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -71.91 -32.74 67.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 75.120000000000005 110.917 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 72.230000000000004 112.467 179.916 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.826 0.346 . . . . 74.409999999999997 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.69 35.92 4.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 74.150000000000006 110.914 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.9 mmm -107.11 -38.33 6.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 71.430000000000007 110.826 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -142.97 -74.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 72.409999999999997 110.861 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 48.2 66.4 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 73.549999999999997 110.872 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.0 m -59.5 -18.9 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 111.119 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.23 -8.86 57.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 61.030000000000001 111.118 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.37 -23.14 7.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 73.420000000000002 111.069 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.47 134.78 34.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 74.120000000000005 110.913 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -142.32 122.12 13.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 72.25 111.181 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 178.85 154.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 74.400000000000006 110.868 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -76.43 -67.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 74.109999999999999 110.862 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.85 -47.46 13.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 72.239999999999995 111.099 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.64 -33.99 7.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 71.530000000000001 110.903 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.94 -40.93 45.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 74.420000000000002 111.11 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -28.57 69.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 73.209999999999994 110.845 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -78.73 -28.1 44.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 75.329999999999998 110.905 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.08 -46.57 64.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 74.310000000000002 110.882 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.98 -25.32 59.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 74.430000000000007 111.117 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -51.22 -54.57 24.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 71.430000000000007 110.879 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -69.14 -31.4 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.549999999999997 110.945 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.5 mt -68.49 -25.52 65.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 75.340000000000003 110.941 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.7 mtp -96.82 -17.83 19.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 65.409999999999997 110.883 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.89 -37.15 6.46 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 64.219999999999999 112.485 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -104.81 117.87 35.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 71.129999999999995 110.915 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -78.42 -22.89 47.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 71.319999999999993 110.859 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -43.45 78.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 73.109999999999999 110.922 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.2 tp -77.89 -46.24 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 75.109999999999999 110.957 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.62 -26.72 34.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 72.239999999999995 111.166 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.3 -42.99 96.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 60.340000000000003 110.859 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.59 -21.56 26.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 73.450000000000003 111.11 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.01 -56.43 4.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 60.119999999999997 111.144 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.47 -31.12 22.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 73.450000000000003 110.921 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.4 -27.97 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.540000000000006 111.157 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -62.08 -54.85 35.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 63.310000000000002 110.908 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -47.67 -53.84 13.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 74.329999999999998 110.944 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -53.36 -34.78 58.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 71.340000000000003 110.962 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -57.89 -33.14 68.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 110.863 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.71 25.42 5.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.129999999999995 110.866 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 51.87 54.86 10.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 72.409999999999997 110.86 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.93 147.76 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 72.450000000000003 111.154 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.5 t -105.0 144.8 31.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.349999999999994 111.155 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -53.02 -43.03 66.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 75.299999999999997 110.911 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -56.69 -22.46 35.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 71.340000000000003 110.88 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -83.53 -65.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 72.340000000000003 110.893 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.3 mm -56.02 -47.25 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 74.409999999999997 111.148 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -54.48 -25.44 25.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 74.409999999999997 110.842 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.7 m -87.48 -25.95 23.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 74.409999999999997 111.12 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -85.67 -63.84 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.209999999999994 110.876 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 mt -51.05 -51.07 56.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 74.420000000000002 110.909 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -51.44 -49.35 61.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 71.010000000000005 110.916 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.85 -25.16 26.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 64.420000000000002 110.932 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 73.0 111.119 179.767 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.496 -0.242 . . . . 73.349999999999994 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.4 -58.67 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.81 0.338 . . . . 73.510000000000005 111.044 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -14.07 61.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 74.450000000000003 110.923 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -35.18 75.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 73.230000000000004 110.896 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -81.87 -13.56 57.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 71.540000000000006 110.888 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -70.28 -63.31 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 64.329999999999998 110.927 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -22.1 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.019999999999996 111.116 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -85.27 -23.25 28.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 75.510000000000005 110.931 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -50.97 -30.87 16.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 72.209999999999994 110.864 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.2 m -54.73 -29.4 53.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.049999999999997 110.883 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -86.32 -60.89 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 75.540000000000006 110.905 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 56.1 mtm -50.84 -35.07 30.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 74.219999999999999 110.859 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.6 ttt -70.7 -41.98 71.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 70.209999999999994 110.85 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -22.88 61.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 65.25 110.875 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -83.99 -34.15 24.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 73.140000000000001 110.898 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 63.420000000000002 112.492 179.917 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.1 0 CA-C-O 120.822 0.259 . . . . 73.349999999999994 112.322 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -80.02 -26.23 39.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 74.030000000000001 110.876 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -58.36 151.1 20.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 72.430000000000007 110.879 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -123.93 102.37 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 75.409999999999997 110.934 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.6 mt -67.1 132.78 48.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 73.239999999999995 110.891 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -118.38 134.89 54.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 71.319999999999993 111.118 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.0 p -145.37 179.26 7.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 74.099999999999994 110.86 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.5 tp -124.22 101.01 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 64.019999999999996 110.876 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -120.45 89.66 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 73.25 110.87 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -103.41 13.83 32.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 65.040000000000006 110.863 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -113.84 27.12 9.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 73.409999999999997 110.899 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -100.58 -43.16 6.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 71.319999999999993 110.863 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.79 -72.85 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 71.340000000000003 110.912 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.06 61.82 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 62.119999999999997 110.859 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.9 t -58.33 -25.86 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 74.349999999999994 111.117 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.63 -8.25 59.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 72.099999999999994 111.101 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.46 -24.35 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 72.219999999999999 111.084 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.62 132.15 37.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 64.200000000000003 110.881 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.3 p -143.16 121.93 12.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 75.209999999999994 111.152 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 177.79 161.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 75.200000000000003 110.878 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.1 mmt-85 -75.93 -67.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 65.329999999999998 110.882 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.22 -45.82 17.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 73.540000000000006 111.105 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.23 -32.2 10.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 70.230000000000004 110.904 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.36 -47.57 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 61.219999999999999 111.065 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -55.93 -36.28 67.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.519999999999996 110.921 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -67.44 -45.52 75.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 75.049999999999997 110.889 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.22 -39.76 95.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 73.219999999999999 110.937 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.77 -34.95 69.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 74.519999999999996 111.116 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -51.54 -61.57 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 74.140000000000001 110.881 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -60.51 -21.89 62.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 54.450000000000003 110.916 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.5 mt -86.04 -10.9 54.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 72.120000000000005 110.942 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.2 mtm -104.45 -21.76 13.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 64.239999999999995 110.89 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.83 -51.41 1.65 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.748 . . . . 72.099999999999994 112.467 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -73.65 111.38 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 74.25 110.867 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -72.9 -50.33 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 74.329999999999998 110.906 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -27.93 57.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 75.109999999999999 110.898 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.6 tp -85.39 -54.98 4.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.310000000000002 110.919 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.37 -27.7 38.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 73.400000000000006 111.097 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.52 -41.44 80.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 63.109999999999999 110.855 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.82 -17.71 32.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 54.530000000000001 111.086 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.98 -56.69 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 72.420000000000002 111.14 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -29.47 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 73.450000000000003 110.943 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.8 -26.96 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 74.109999999999999 111.138 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.6 t90 -64.52 -56.92 10.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 74.019999999999996 110.914 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -47.13 -55.75 7.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 71.299999999999997 110.884 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -51.13 -38.04 49.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 73.349999999999994 110.949 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -54.72 -33.17 60.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 60.020000000000003 110.836 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -96.53 25.75 4.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 44.329999999999998 110.879 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.74 50.62 18.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.209999999999994 110.821 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.95 157.77 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 73.209999999999994 111.141 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 t -111.99 143.64 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 63.140000000000001 111.169 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -53.74 -43.88 69.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 74.099999999999994 110.933 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.75 -24.33 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 73.420000000000002 110.891 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -83.14 -66.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 73.430000000000007 110.936 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.0 mm -54.34 -29.72 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.450000000000003 111.1 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.49 -57.2 8.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 110.857 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.5 m -58.37 -19.66 37.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 75.319999999999993 111.097 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -86.26 -59.69 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.099999999999994 110.86 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.04 -47.66 82.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 75.129999999999995 110.941 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -50.76 -50.4 55.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.310000000000002 110.923 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.73 -25.49 18.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 64.129999999999995 110.917 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.82 -29.51 23.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.439999999999998 111.11 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.6 p -99.31 -172.06 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 74.420000000000002 110.834 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -55.2 174.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 73.129999999999995 110.9 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -97.36 27.66 4.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 73.540000000000006 110.936 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.9 m -108.19 56.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 74.420000000000002 111.168 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 58.42 24.08 11.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 75.530000000000001 110.887 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 52.21 88.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 71.140000000000001 112.461 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.08 -58.37 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 74.150000000000006 111.105 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -69.94 -10.94 60.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.239999999999995 110.909 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -66.58 -36.44 82.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 74.030000000000001 110.909 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -82.58 -13.89 55.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 75.239999999999995 110.896 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -70.21 -63.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 75.310000000000002 110.915 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -70.73 -23.05 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 75.120000000000005 111.121 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -85.45 -22.45 28.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 74.400000000000006 110.901 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.46 -29.67 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 71.450000000000003 110.884 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.7 m -52.64 -32.34 41.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 71.310000000000002 110.878 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -86.61 -60.11 2.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 74.340000000000003 110.973 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 42.9 mtp -49.56 -31.37 10.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 74.430000000000007 110.866 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.9 tpp -76.62 -40.98 47.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 73.230000000000004 110.882 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -48.73 72.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 74.329999999999998 110.872 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.49 -33.48 64.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.040000000000006 110.922 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 70.27 37.48 71.27 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 71.209999999999994 112.524 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.9 pp -118.02 28.16 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 75.219999999999999 110.907 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.5 t -70.96 172.68 8.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 74.400000000000006 111.138 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 121.8 49.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.748 . . . . 71.150000000000006 112.529 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -96.32 -57.24 2.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 74.239999999999995 110.93 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.45 158.86 48.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.7 0.762 . . . . 63.43 110.878 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -42.15 3.65 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.657 2.238 . . . . 75.219999999999999 112.364 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -173.45 159.08 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 74.340000000000003 110.911 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.73 141.35 14.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 64.329999999999998 110.879 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.81 156.94 38.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 75.040000000000006 110.815 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t -174.65 -178.36 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 43.439999999999998 110.818 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.2 m -99.96 139.99 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 74.239999999999995 111.095 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.43 38.64 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 75.209999999999994 110.874 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -71.22 -43.19 67.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 72.310000000000002 110.899 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -51.73 -37.4 50.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 75.120000000000005 110.894 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.45 -43.29 97.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 73.430000000000007 111.113 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.48 139.22 57.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 61.340000000000003 111.065 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.86 174.05 7.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 74.519999999999996 111.147 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.35 25.87 8.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 73.150000000000006 110.914 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 73.299999999999997 110.867 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.748 0.228 . . . . 74.5 112.326 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 55.73 47.31 20.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 75.310000000000002 110.841 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -108.6 -43.46 4.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 74.230000000000004 110.906 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -64.36 167.23 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 72.439999999999998 110.872 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -118.99 33.13 5.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 73.209999999999994 110.904 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -165.51 163.77 19.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 61.399999999999999 111.105 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.3 p -59.23 161.86 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 75.510000000000005 110.867 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -80.71 111.36 17.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 72.329999999999998 110.948 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -113.75 104.44 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 71.430000000000007 110.874 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -109.71 13.63 23.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 71.299999999999997 110.92 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -113.55 31.48 6.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 72.439999999999998 110.886 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 85.3 mmm -106.54 -41.74 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 73.439999999999998 110.882 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.43 -73.37 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 73.150000000000006 110.874 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.35 62.3 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 75.230000000000004 110.915 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 t -58.19 -26.88 30.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 74.329999999999998 111.138 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.08 -8.02 58.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 61.229999999999997 111.066 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.61 -24.74 7.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 70.209999999999994 111.115 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.02 130.18 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 74.349999999999994 110.917 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.3 p -143.75 121.66 12.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 74.430000000000007 111.115 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.1 tptp 178.84 162.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.88 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -76.66 -66.98 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 64.099999999999994 110.903 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.14 -48.0 13.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 75.310000000000002 111.091 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.44 -53.78 16.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 70.230000000000004 110.88 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.06 -24.65 65.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 72.430000000000007 111.104 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -76.38 -27.94 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 74.409999999999997 110.879 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -79.45 -32.78 42.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 75.140000000000001 110.895 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.0 -43.11 83.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 73.540000000000006 110.874 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.01 -25.6 61.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 71.099999999999994 111.098 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -55.51 -60.26 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 73.219999999999999 110.894 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -62.47 -29.99 70.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 75.299999999999997 110.888 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.6 mt -73.47 -23.27 60.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 74.120000000000005 110.891 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 78.6 mtp -91.38 -21.2 21.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 72.319999999999993 110.866 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.85 -53.05 1.33 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 72.140000000000001 112.459 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -71.7 114.67 10.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.855 0.36 . . . . 63.210000000000001 110.899 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.96 -49.05 14.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 72.010000000000005 110.874 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -28.11 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 75.329999999999998 110.899 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.2 tp -85.59 -51.67 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 75.319999999999993 110.921 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.39 -29.12 57.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 75.230000000000004 111.097 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.32 -41.3 79.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.430000000000007 110.836 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.86 -17.88 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 63.340000000000003 111.116 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.97 -57.39 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 64.430000000000007 111.093 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.48 -29.47 16.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 74.420000000000002 110.911 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.97 -29.92 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 74.349999999999994 111.137 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -61.16 -55.33 33.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 75.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -46.89 -52.74 13.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 72.420000000000002 110.903 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -50.83 -38.25 47.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 73.409999999999997 110.922 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -54.65 -33.68 61.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 74.329999999999998 110.855 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -95.44 25.2 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 54.43 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 51.39 43.57 29.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 71.530000000000001 110.844 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.71 153.23 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 72.430000000000007 111.12 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.1 t -109.02 143.59 38.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 71.430000000000007 111.127 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.7 -42.39 71.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 73.340000000000003 110.916 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -57.38 -22.95 46.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 72.450000000000003 110.919 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -66.27 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 74.510000000000005 110.904 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.6 mm -55.27 -29.05 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 75.340000000000003 111.117 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -71.01 -29.47 65.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 72.530000000000001 110.871 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.1 m -86.94 -19.73 28.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 74.5 111.129 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -86.47 -64.13 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.319999999999993 110.922 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.98 -49.24 69.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 75.409999999999997 110.94 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -51.41 -50.39 59.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 71.530000000000001 110.957 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.03 -24.61 25.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.230000000000004 110.952 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.2 -28.93 31.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 64.0 111.117 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -105.78 -170.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 65.239999999999995 110.901 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -58.9 163.81 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 73.549999999999997 110.875 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -89.58 49.11 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 74.219999999999999 110.917 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.3 m -120.19 51.35 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 74.010000000000005 111.1 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 60.47 19.72 9.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 74.129999999999995 110.912 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 51.87 81.88 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 73.150000000000006 112.488 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.27 -58.6 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 74.430000000000007 111.043 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -10.77 59.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 73.239999999999995 110.925 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -34.5 78.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 74.439999999999998 110.926 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.53 -13.81 56.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.030000000000001 110.897 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -67.89 -63.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 73.209999999999994 110.875 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -20.64 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 74.099999999999994 111.133 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -85.22 -21.62 29.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 74.409999999999997 110.912 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -46.75 -34.61 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 75.25 110.914 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.1 m -52.11 -42.22 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 72.319999999999993 110.866 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -67.6 -60.79 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.420000000000002 110.894 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 33.6 mtp -52.4 -29.21 23.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 75.340000000000003 110.856 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -70.68 -38.19 73.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 55.240000000000002 110.863 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -73.33 -48.08 37.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 70.439999999999998 110.908 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.23 -32.74 73.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 75.519999999999996 110.927 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.23 29.84 63.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 62.149999999999999 112.472 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.5 pp -115.54 25.92 10.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 75.349999999999994 110.885 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.7 t -55.54 170.1 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 75.150000000000006 111.109 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 131.0 36.38 0.35 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 74.540000000000006 112.488 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -114.82 164.67 13.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.839 0.352 . . . . 75.439999999999998 110.875 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 56.38 73.49 0.81 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.655 0.74 . . . . 65.049999999999997 110.878 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -174.62 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.272 . . . . 71.450000000000003 112.354 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -55.91 139.94 44.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 75.329999999999998 110.87 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 p -167.92 172.19 9.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 65.200000000000003 110.88 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.4 p -91.81 132.41 36.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 72.200000000000003 110.877 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.0 t -174.71 -177.26 1.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 60.149999999999999 110.836 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 22.2 m -103.12 152.51 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 75.219999999999999 111.14 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -125.11 -37.58 2.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 71.439999999999998 110.844 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -62.06 -46.23 90.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 74.519999999999996 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.6 mp -74.97 -31.65 61.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 74.099999999999994 110.889 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.19 -37.98 70.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 72.349999999999994 111.064 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.62 77.65 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 73.400000000000006 111.083 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.06 132.96 38.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 65.420000000000002 111.072 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.71 109.85 3.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 110.947 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 65.019999999999996 110.888 179.927 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.138 0 CA-C-O 120.78 0.242 . . . . 74.439999999999998 112.343 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 62.49 29.44 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 75.409999999999997 110.875 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -60.37 -29.63 69.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.040000000000006 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -68.06 150.87 47.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.120000000000005 110.885 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.76 -32.57 6.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 74.430000000000007 110.914 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.67 -177.59 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.450000000000003 111.111 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.5 t -86.78 -75.04 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 73.010000000000005 110.877 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -120.0 176.32 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.530000000000001 110.911 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -118.83 65.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 74.219999999999999 110.914 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -118.33 15.67 13.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 75.349999999999994 110.89 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -114.08 24.28 12.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 74.120000000000005 110.883 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 mmt -97.76 -42.52 7.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 75.439999999999998 110.861 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.31 -73.16 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 73.319999999999993 110.886 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 49.94 63.38 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 62.420000000000002 110.861 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 t -59.77 -27.03 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 74.140000000000001 111.112 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.05 -8.06 58.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 72.439999999999998 111.111 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.07 -24.27 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 75.150000000000006 111.115 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.14 131.75 37.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.129999999999995 110.95 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.0 p -143.42 121.93 12.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 65.439999999999998 111.171 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.77 158.72 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 71.439999999999998 110.953 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -76.16 -60.74 2.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 74.209999999999994 110.891 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.53 -48.65 13.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.209999999999994 111.096 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.31 -56.72 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 75.439999999999998 110.871 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.69 -30.43 69.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 74.340000000000003 111.126 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -73.34 -28.26 61.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 74.340000000000003 110.879 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.65 -36.9 37.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 71.400000000000006 110.872 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt -65.91 -47.58 74.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 72.099999999999994 110.902 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.41 -25.44 65.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 71.329999999999998 111.096 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -54.0 -61.66 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.450000000000003 110.906 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -64.01 -32.8 74.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 65.439999999999998 110.912 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.8 mt -66.79 -26.17 66.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.219999999999999 110.912 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 58.5 mtm -94.12 3.2 55.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 74.329999999999998 110.899 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.42 -55.82 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 75.040000000000006 112.457 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -74.65 115.98 14.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 73.430000000000007 110.871 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -75.74 -39.31 57.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 51.409999999999997 110.856 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -34.22 75.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 73.329999999999998 110.89 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -84.72 -52.94 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 74.010000000000005 110.976 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.64 -35.3 41.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 74.209999999999994 111.135 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -56.44 -39.65 73.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 62.420000000000002 110.868 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.64 -18.76 30.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.340000000000003 111.092 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.89 -57.65 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 63.109999999999999 111.085 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.82 -29.08 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 74.349999999999994 110.942 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.74 -29.69 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 75.5 111.121 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -62.19 -55.35 29.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 74.530000000000001 110.921 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -47.17 -55.17 8.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 73.319999999999993 110.879 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -51.15 -41.23 59.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 74.319999999999993 110.952 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -31.93 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 64.540000000000006 110.845 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.42 24.98 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 73.120000000000005 110.878 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 51.39 54.18 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 73.420000000000002 110.828 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.84 157.74 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 64.420000000000002 111.144 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.8 t -114.67 143.97 44.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 71.299999999999997 111.123 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.11 -43.0 66.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 74.519999999999996 110.893 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.24 -24.15 58.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 71.400000000000006 110.907 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -65.97 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 74.310000000000002 110.937 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.6 mm -53.2 -39.17 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.409999999999997 111.127 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -57.04 -57.39 12.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 71.319999999999993 110.865 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.2 m -56.73 -20.55 22.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 64.219999999999999 111.124 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -85.92 -65.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 70.349999999999994 110.862 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.78 -48.07 78.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 72.530000000000001 110.906 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -50.56 -52.03 42.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 74.030000000000001 110.874 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.55 -25.46 26.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 74.230000000000004 110.889 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.63 -47.95 10.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.340000000000003 111.137 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.9 -74.48 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 75.329999999999998 110.851 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -168.98 -179.5 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 64.340000000000003 110.905 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.2 23.82 5.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 72.450000000000003 110.869 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.7 p -105.28 43.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 74.129999999999995 111.146 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 63.56 16.67 9.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 74.340000000000003 110.917 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 51.73 84.71 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.67 -0.776 . . . . 44.439999999999998 112.489 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.73 -58.73 5.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 55.329999999999998 111.058 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -70.54 -15.09 62.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 74.340000000000003 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.36 -31.72 73.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 75.219999999999999 110.936 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.7 -13.9 55.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 74.510000000000005 110.879 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -73.24 -63.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 75.409999999999997 110.884 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -24.02 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.319999999999993 111.1 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -85.45 -22.81 28.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 73.409999999999997 110.942 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -50.41 -30.67 12.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 73.310000000000002 110.862 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 m -54.49 -28.82 47.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 61.219999999999999 110.885 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -84.34 -57.88 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 74.439999999999998 110.873 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.3 mtt -50.12 -33.54 19.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 75.219999999999999 110.873 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.1 ptp -79.8 -34.48 39.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 75.129999999999995 110.876 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -53.65 -60.88 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 75.019999999999996 110.871 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.3 mp -78.64 -33.56 47.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 63.130000000000003 110.938 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.04 38.0 9.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 73.209999999999994 112.49 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -108.34 25.2 11.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 75.030000000000001 110.93 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.0 t -62.12 167.07 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 72.540000000000006 111.169 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.92 37.75 0.25 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 75.299999999999997 112.491 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -112.83 156.51 22.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 74.140000000000001 110.92 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 62.81 160.58 0.12 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.625 0.726 . . . . 74.120000000000005 110.889 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 147.01 61.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 75.230000000000004 112.341 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -102.13 75.61 1.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 73.530000000000001 110.904 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.8 t -92.54 -51.77 4.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 73.340000000000003 110.856 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.7 t -157.88 170.26 22.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 70.340000000000003 110.827 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.3 m -161.15 -173.85 4.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 62.439999999999998 110.805 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.0 p -170.79 129.05 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 72.239999999999995 111.099 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -126.56 27.49 6.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 72.540000000000006 110.866 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -74.41 -32.7 62.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 74.319999999999993 110.876 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 pp -85.03 -17.22 38.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 75.25 110.931 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.43 -53.55 49.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 71.340000000000003 111.096 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.14 115.27 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.510000000000005 111.092 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.36 170.45 21.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 74.239999999999995 111.099 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -96.65 124.02 40.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 64.319999999999993 110.889 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 71.200000000000003 110.885 179.896 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.131 0 CA-C-O 120.783 0.243 . . . . 64.409999999999997 112.348 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.2 m120 59.04 43.76 17.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 74.140000000000001 110.913 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -81.18 101.3 9.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 74.209999999999994 110.924 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -138.67 166.77 23.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 75.109999999999999 110.886 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.07 164.3 30.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 73.340000000000003 110.893 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -134.37 149.98 50.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 63.100000000000001 111.086 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 p -172.73 179.54 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 63.409999999999997 110.838 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -110.22 26.74 10.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.51 . . . . 72.239999999999995 110.91 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -94.7 87.94 5.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 72.129999999999995 110.898 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -106.7 13.86 27.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 71.349999999999994 110.893 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -111.38 29.96 7.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 110.874 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mmt -106.27 -39.89 5.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 71.409999999999997 110.898 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.22 -70.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 75.329999999999998 110.894 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 47.26 61.22 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.340000000000003 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.0 t -58.09 -26.86 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 65.299999999999997 111.092 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.71 -7.73 58.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 73.230000000000004 111.042 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.24 -14.8 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 70.030000000000001 111.127 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.41 150.4 20.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 70.349999999999994 110.886 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.8 p -141.61 -172.68 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 64.439999999999998 111.164 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.7 mttp 70.88 140.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 65.340000000000003 110.895 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -74.44 -33.1 62.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.239999999999995 110.904 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.03 -60.41 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 72.409999999999997 111.091 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -58.67 -39.19 79.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.340000000000003 110.86 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.48 -51.94 45.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 73.230000000000004 111.087 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.84 -29.34 54.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 74.030000000000001 110.908 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -73.31 -30.47 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 74.150000000000006 110.88 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 mt -87.09 -30.38 21.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 75.140000000000001 110.902 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.99 -25.13 43.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.329999999999998 111.121 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -21.84 64.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 75.319999999999993 110.865 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -103.02 -22.95 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 71.319999999999993 110.929 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.4 mt -80.99 -2.57 48.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 75.239999999999995 110.931 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 34.3 mtm -118.89 -32.47 4.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 65.329999999999998 110.9 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.51 -20.28 64.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.746 . . . . 72.019999999999996 112.495 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -116.41 112.99 22.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 73.349999999999994 110.893 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -78.57 -21.9 47.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 53.210000000000001 110.856 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -69.0 -42.13 76.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 74.430000000000007 110.876 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.3 tp -83.08 -47.36 11.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 71.200000000000003 110.947 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.83 -31.68 28.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 60.439999999999998 111.083 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.94 -41.58 83.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 63.219999999999999 110.87 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.18 -17.48 34.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 74.030000000000001 111.084 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.81 -57.68 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 70.120000000000005 111.116 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -52.31 -28.29 18.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 73.219999999999999 110.946 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -86.01 -30.33 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 72.140000000000001 111.178 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -63.76 -53.96 42.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 72.540000000000006 110.883 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -47.22 -54.98 9.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 72.409999999999997 110.879 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -51.2 -38.17 50.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 75.319999999999993 110.912 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -55.34 -32.54 62.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 74.450000000000003 110.855 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -96.93 25.78 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 72.239999999999995 110.894 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 51.71 55.01 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 75.219999999999999 110.855 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.35 152.11 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 71.010000000000005 111.168 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 t -108.27 145.41 34.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.420000000000002 111.129 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -54.93 -43.14 73.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 70.239999999999995 110.922 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.46 -23.12 47.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 73.409999999999997 110.822 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -83.18 -65.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 73.120000000000005 110.897 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.8 mm -54.91 -43.1 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 111.095 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -57.54 -28.45 63.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 75.420000000000002 110.841 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.7 m -86.76 -19.45 29.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 75.530000000000001 111.14 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -85.8 -45.48 11.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.200000000000003 110.873 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -49.38 24.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 74.109999999999999 110.89 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -50.39 -48.49 55.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 73.030000000000001 110.92 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -28.11 13.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 72.510000000000005 110.893 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.54 -35.72 24.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 75.439999999999998 111.076 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.2 m -94.89 -171.76 2.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 60.450000000000003 110.932 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -58.01 -179.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 75.25 110.875 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -100.34 36.05 1.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 75.530000000000001 110.906 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.7 p -105.66 46.52 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 73.040000000000006 111.149 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 58.55 24.04 11.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 75.430000000000007 110.903 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 53.53 81.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.745 . . . . 45.25 112.504 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.32 -58.44 4.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 75.120000000000005 111.093 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -10.86 60.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 74.129999999999995 110.872 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -34.93 79.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 74.239999999999995 110.879 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -80.86 -12.88 59.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 75.25 110.866 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.8 -63.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 72.219999999999999 110.906 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.37 -20.99 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 73.140000000000001 111.109 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -84.74 -22.52 29.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 74.140000000000001 110.929 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -50.52 -28.79 9.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 61.340000000000003 110.891 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -51.91 -30.67 25.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 72.430000000000007 110.85 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -86.94 -61.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.109999999999999 110.92 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.6 -31.34 10.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 74.319999999999993 110.889 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.7 tpt -76.69 -46.32 26.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 74.319999999999993 110.818 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -53.16 -63.01 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 74.340000000000003 110.879 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.88 -30.23 70.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 74.409999999999997 110.94 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 67.46 35.8 87.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 71.310000000000002 112.486 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 pp -111.23 30.36 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 75.219999999999999 110.903 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.3 t -77.09 179.21 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 64.019999999999996 111.149 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.2 -15.13 1.3 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 71.200000000000003 112.476 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -52.76 -62.24 1.77 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.906 0.384 . . . . 74.349999999999994 110.923 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -168.03 72.52 0.89 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.665 0.745 . . . . 74.310000000000002 110.857 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 166.68 26.74 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.24 . . . . 70.530000000000001 112.349 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -134.79 162.72 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 72.450000000000003 110.917 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.0 t -76.84 81.16 3.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 74.019999999999996 110.874 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.0 t -66.48 141.26 57.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 73.230000000000004 110.827 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.9 m -131.87 37.68 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 74.409999999999997 110.91 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.8 t -128.98 136.92 58.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 74.239999999999995 111.129 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -125.32 35.82 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 73.25 110.885 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -80.0 -38.94 31.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.25 110.921 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -58.45 -25.63 62.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 73.209999999999994 110.94 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.77 -37.28 84.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 64.239999999999995 111.093 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.97 50.19 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 73.510000000000005 111.095 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -104.48 154.01 20.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 74.400000000000006 111.083 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.5 tp -116.61 126.91 53.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 75.319999999999993 110.931 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 72.329999999999998 110.85 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.138 0 CA-C-O 120.771 0.238 . . . . 72.430000000000007 112.303 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 59.85 41.52 17.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 74.310000000000002 110.859 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -93.48 179.61 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 75.310000000000002 110.89 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -124.79 141.58 52.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 64.140000000000001 110.926 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.0 -43.42 3.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 74.019999999999996 110.926 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.92 25.09 8.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 61.509999999999998 111.135 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.34 -177.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 72.510000000000005 110.834 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -115.66 155.88 26.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 75.549999999999997 110.921 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -153.2 107.33 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.329999999999998 110.864 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -118.42 9.38 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 74.329999999999998 110.922 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -109.75 24.66 12.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 74.099999999999994 110.881 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 21.5 mmt -97.5 -38.06 9.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 71.420000000000002 110.879 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.15 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 73.219999999999999 110.899 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.4 p30 40.7 66.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 64.310000000000002 110.887 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 t -65.53 -28.35 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 72.010000000000005 111.099 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.0 -8.36 59.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 75.209999999999994 111.11 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.74 -12.75 12.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 70.519999999999996 111.098 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.8 136.87 41.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 74.129999999999995 110.925 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.8 p -142.96 121.73 12.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 74.510000000000005 111.109 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.12 160.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 63.140000000000001 110.852 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -76.69 -67.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 75.040000000000006 110.838 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.89 -46.85 14.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 74.450000000000003 111.111 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -48.4 -32.85 8.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 72.329999999999998 110.885 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.32 -40.04 45.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 62.340000000000003 111.142 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -37.38 87.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 71.120000000000005 110.907 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -62.54 -57.85 9.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 75.450000000000003 110.884 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mt -51.84 -30.74 24.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 74.25 110.897 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.29 -37.17 38.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.239999999999995 111.117 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.73 -60.13 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 75.299999999999997 110.884 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -53.87 -33.14 55.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 71.400000000000006 110.902 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.1 mt -74.41 -28.36 61.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 74.129999999999995 110.926 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 67.4 mtp -96.82 4.49 51.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.430000000000007 110.862 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.53 -21.94 4.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 74.209999999999994 112.469 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -124.74 118.55 26.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.328 . . . . 71.019999999999996 110.946 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -78.3 -23.3 47.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 65.430000000000007 110.861 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -67.02 -38.8 86.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 73.430000000000007 110.878 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.9 tp -85.32 -47.04 10.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 71.400000000000006 110.884 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.78 -32.6 31.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 71.120000000000005 111.095 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -56.41 -40.79 75.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.209999999999994 110.897 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.4 -18.13 32.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 65.439999999999998 111.148 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.88 -58.05 3.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 62.340000000000003 111.119 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -29.05 15.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 75.510000000000005 110.903 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.37 -32.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 73.420000000000002 111.111 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -62.04 -51.1 69.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 75.25 110.909 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -49.5 -51.86 33.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 74.019999999999996 110.903 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.04 -30.47 61.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 73.519999999999996 110.864 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -59.79 -25.48 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 74.239999999999995 110.866 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -107.5 25.82 11.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 73.099999999999994 110.896 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 51.75 51.53 16.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 74.510000000000005 110.856 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.49 147.34 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.450000000000003 111.184 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 t -104.65 143.59 32.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 72.219999999999999 111.147 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -53.0 -44.54 67.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 73.549999999999997 110.916 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -55.61 -24.91 35.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 63.020000000000003 110.896 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.39 -66.67 0.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 73.519999999999996 110.932 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.7 mm -52.32 -40.32 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.239999999999995 111.181 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -56.17 -56.27 22.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 73.019999999999996 110.854 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.4 m -57.9 -19.92 33.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 75.310000000000002 111.092 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -85.93 -62.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 71.420000000000002 110.902 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.7 -47.17 86.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 74.319999999999993 110.895 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -51.02 -51.0 57.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 74.109999999999999 110.909 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.24 -25.25 22.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 64.049999999999997 110.912 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.59 -51.01 9.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 74.120000000000005 111.063 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -70.7 170.91 11.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 61.009999999999998 110.831 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -121.89 57.09 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.209999999999994 110.914 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.49 170.15 17.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 73.109999999999999 110.871 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.27 123.41 26.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 111.185 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.95 19.43 11.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 71.019999999999996 110.949 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 53.78 90.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.698 -0.763 . . . . 73.140000000000001 112.548 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.32 -58.67 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 75.140000000000001 111.106 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -71.77 -9.88 58.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 74.129999999999995 110.898 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.5 -35.53 77.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 75.019999999999996 110.954 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -82.68 -13.88 55.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 75.239999999999995 110.89 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -67.98 -63.31 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 75.310000000000002 110.915 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -21.2 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.200000000000003 111.174 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -85.38 -22.41 28.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 74.349999999999994 110.92 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -50.36 -30.38 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 74.310000000000002 110.889 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 t -54.43 -28.91 47.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 73.150000000000006 110.876 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -86.47 -61.64 1.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.118 -0.492 . . . . 72.450000000000003 110.946 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 43.7 mtp -51.17 -30.47 16.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 75.109999999999999 110.899 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.9 ttt -75.5 -45.13 40.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 74.120000000000005 110.902 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -52.51 -58.07 7.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 75.030000000000001 110.871 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.5 mp -73.52 -31.53 63.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 75.349999999999994 110.896 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.04 30.12 55.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 75.099999999999994 112.511 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 pp -100.49 26.75 6.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.917 0.389 . . . . 71.409999999999997 110.908 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.6 t -61.96 167.43 3.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 64.439999999999998 111.131 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.94 42.33 0.17 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 63.340000000000003 112.509 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -112.12 27.72 9.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.866 0.365 . . . . 73.140000000000001 110.89 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 51.65 69.36 2.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.643 0.735 . . . . 71.519999999999996 110.878 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 150.07 67.81 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 73.319999999999993 112.345 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -76.91 138.57 39.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 75.209999999999994 110.886 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 t -99.61 -28.21 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 74.430000000000007 110.877 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.6 t -59.67 120.64 9.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 73.140000000000001 110.88 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.3 m -151.34 174.89 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 75.219999999999999 110.817 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.2 m -135.1 147.22 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 72.439999999999998 111.118 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -115.31 -27.63 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 72.129999999999995 110.874 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -55.14 -37.85 67.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 71.299999999999997 110.871 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.2 mt -79.14 -52.95 7.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 72.299999999999997 110.919 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.9 -44.57 63.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 74.129999999999995 111.074 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.28 -24.76 37.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 74.430000000000007 111.143 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 66.87 11.47 8.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 65.209999999999994 111.092 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.13 111.83 8.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 74.140000000000001 110.918 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 75.319999999999993 110.881 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.138 0 CA-C-O 120.764 0.235 . . . . 74.310000000000002 112.335 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -118.17 41.82 2.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 74.340000000000003 110.837 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -115.31 28.16 8.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 75.239999999999995 110.894 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -139.93 129.09 23.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 71.040000000000006 110.889 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -96.73 -53.64 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 75.120000000000005 110.893 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.12 124.63 49.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 64.450000000000003 111.129 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -170.03 133.95 1.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 72.510000000000005 110.834 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -135.91 133.45 37.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 74.200000000000003 110.933 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -124.98 94.95 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 72.099999999999994 110.87 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -114.32 14.22 17.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 75.439999999999998 110.953 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -115.61 29.71 7.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 71.299999999999997 110.899 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.9 mmt -101.44 -41.88 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 73.540000000000006 110.899 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.51 -73.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 71.200000000000003 110.903 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 48.29 66.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 73.510000000000005 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.8 m -59.53 -18.55 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 71.219999999999999 111.105 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.48 -8.78 57.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.219999999999999 111.099 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.04 -22.76 7.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 75.530000000000001 111.139 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.28 133.93 35.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 74.109999999999999 110.919 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.9 p -142.61 122.48 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 65.329999999999998 111.129 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.28 152.56 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 75.319999999999993 110.881 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -76.46 -67.7 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.842 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.77 -47.89 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 72.409999999999997 111.123 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -48.45 21.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 71.400000000000006 110.869 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.55 98.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 75.010000000000005 111.103 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.51 -27.99 51.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 72.129999999999995 110.848 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -77.19 -49.84 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 74.329999999999998 110.884 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -51.25 -37.21 45.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 70.400000000000006 110.904 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.16 -28.27 42.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 111.069 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -51.99 -60.8 2.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 74.299999999999997 110.93 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -61.4 -28.38 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 75.010000000000005 110.882 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.6 mt -75.68 -19.69 58.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 75.209999999999994 110.945 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.0 mtm -95.68 -22.66 17.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 65.430000000000007 110.849 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.2 -46.78 2.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 63.340000000000003 112.479 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -80.11 109.69 14.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 74.439999999999998 110.893 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -72.57 -51.14 21.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 71.120000000000005 110.875 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -29.26 31.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 72.040000000000006 110.937 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.5 tp -85.61 -49.07 8.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 70.349999999999994 110.888 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.51 -26.18 60.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 72.239999999999995 111.109 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.44 -40.38 90.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 70.420000000000002 110.869 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.78 -19.65 28.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.439999999999998 111.105 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.77 -56.44 4.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 61.229999999999997 111.061 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.46 -30.1 18.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 64.219999999999999 110.892 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.86 -29.27 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 63.030000000000001 111.18 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -59.7 -59.27 5.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 75.420000000000002 110.892 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -46.28 -55.64 6.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.431 . . . . 72.519999999999996 110.867 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -50.81 -40.08 54.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 74.409999999999997 110.918 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -54.93 -32.79 61.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 75.519999999999996 110.901 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -95.47 25.06 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 110.879 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 51.71 51.81 15.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 110.876 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.2 151.8 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 75.409999999999997 111.152 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 t -105.99 143.91 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.430000000000007 111.188 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.3 -39.0 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 74.329999999999998 110.931 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -61.22 -21.44 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 64.420000000000002 110.891 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -83.27 -66.08 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 74.519999999999996 110.899 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.0 mm -54.51 -44.47 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 73.5 111.177 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -56.6 -23.66 42.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 73.0 110.901 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.8 m -87.08 -26.86 23.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 75.099999999999994 111.185 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -85.71 -64.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 74.430000000000007 110.854 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 mt -49.45 -51.65 34.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 75.140000000000001 110.969 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.69 -47.39 63.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 75.349999999999994 110.904 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.44 -25.58 25.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 70.299999999999997 110.907 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.53 -35.85 52.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 71.549999999999997 111.075 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -97.45 -171.19 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 75.140000000000001 110.875 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -61.14 -177.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.230000000000004 110.847 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -96.9 24.09 6.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 72.030000000000001 110.836 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -91.38 47.06 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.418 . . . . 74.129999999999995 111.175 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 59.48 21.45 9.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 72.519999999999996 110.956 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 53.01 84.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 72.450000000000003 112.505 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.54 -58.36 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.373 . . . . 73.340000000000003 111.114 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.58 -12.88 61.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 74.230000000000004 110.88 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -35.5 78.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 75.409999999999997 110.901 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -81.85 -13.19 57.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 70.019999999999996 110.935 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -63.54 1.04 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 75.030000000000001 110.913 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -21.84 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 72.439999999999998 111.167 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -85.12 -22.27 28.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 73.540000000000006 110.924 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -49.96 -30.01 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 73.120000000000005 110.905 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.6 m -53.53 -31.89 48.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 63.100000000000001 110.876 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -86.5 -60.62 1.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 74.430000000000007 110.969 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.6 mmm -49.84 -31.82 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 64.349999999999994 110.884 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.2 ttt -75.98 -44.54 39.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.129999999999995 110.876 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -61.29 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 72.209999999999994 110.861 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.9 mp -68.34 -30.56 69.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 75.120000000000005 110.882 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.34 24.39 74.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 75.109999999999999 112.473 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -89.37 9.45 26.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 72.450000000000003 110.938 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -58.89 170.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 74.109999999999999 111.108 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.26 33.28 0.73 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 72.540000000000006 112.477 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -96.81 -53.87 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 74.109999999999999 110.891 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -117.65 157.56 47.55 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.595 0.712 . . . . 74.340000000000003 110.927 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 137.03 34.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 73.230000000000004 112.345 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -103.77 178.12 4.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 75.239999999999995 110.907 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 p -142.37 125.97 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 75.439999999999998 110.849 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.3 m -83.74 165.03 19.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 72.150000000000006 110.827 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.2 p -170.74 179.84 3.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 75.209999999999994 110.839 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.0 m -135.16 145.44 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 74.010000000000005 111.133 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -131.55 29.62 4.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 75.129999999999995 110.89 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -31.63 71.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.129999999999995 110.873 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.1 mp -80.76 -28.34 36.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 70.200000000000003 110.913 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.85 -34.46 69.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.549999999999997 111.094 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.0 142.97 26.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 111.05 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -171.63 159.0 5.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 75.129999999999995 111.094 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.4 mp -138.97 163.95 31.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 71.109999999999999 110.873 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 64.200000000000003 110.916 179.903 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 N--CA 1.465 -0.164 0 CA-C-O 120.8 0.25 . . . . 73.099999999999994 112.384 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 63.19 53.83 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 72.409999999999997 110.902 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -108.27 169.5 8.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 74.319999999999993 110.853 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.4 t30 59.08 31.69 21.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 74.219999999999999 110.911 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.6 mt -53.46 -31.64 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 71.540000000000006 110.893 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.72 25.05 14.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 70.450000000000003 111.088 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.71 172.34 1.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 72.340000000000003 110.837 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -139.25 142.06 37.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 72.439999999999998 110.946 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -127.28 48.57 2.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 74.329999999999998 110.896 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -94.04 -6.21 45.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 74.340000000000003 110.874 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -107.38 21.32 17.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 65.109999999999999 110.883 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 85.9 mmm -84.95 -40.24 17.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 75.519999999999996 110.876 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -142.92 -73.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 73.239999999999995 110.846 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 48.15 66.04 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 73.319999999999993 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.9 m -59.4 -19.52 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 75.329999999999998 111.165 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.36 -8.92 58.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.120000000000005 111.14 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.52 -22.09 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 60.200000000000003 111.09 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.64 137.35 32.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 72.519999999999996 110.901 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.7 p -142.39 120.75 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 62.509999999999998 111.134 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 174.32 140.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 75.409999999999997 110.917 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -74.92 -44.76 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 75.230000000000004 110.839 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.76 -53.24 6.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 73.349999999999994 111.077 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -49.11 -55.49 12.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 71.349999999999994 110.886 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.29 -29.82 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 74.409999999999997 111.133 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -40.53 77.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.239999999999995 110.875 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -79.65 -30.49 41.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 74.420000000000002 110.903 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.6 mt -66.56 -53.54 33.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 110.907 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.46 -25.03 64.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 75.329999999999998 111.032 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -50.93 -61.62 2.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 75.340000000000003 110.916 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -60.7 -26.63 67.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 73.120000000000005 110.891 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 77.6 mt -74.73 -26.17 59.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 71.400000000000006 110.91 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.8 mtp -94.77 4.99 53.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 72.030000000000001 110.898 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.02 -47.15 0.31 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 75.219999999999999 112.518 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -82.47 114.13 20.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 71.450000000000003 110.894 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -70.07 -48.87 56.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 74.25 110.917 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -24.19 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 74.329999999999998 110.892 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.2 tp -85.79 -56.07 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.140000000000001 110.929 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.21 -30.3 59.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 73.510000000000005 111.076 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.26 -40.72 86.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 61.039999999999999 110.907 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.76 -19.32 29.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 61.25 111.094 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.64 -56.07 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 73.010000000000005 111.101 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.79 -30.28 32.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.430000000000007 110.963 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.68 -25.05 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 70.040000000000006 111.134 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -66.34 -55.05 17.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 72.340000000000003 110.894 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -46.59 -54.77 8.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 74.040000000000006 110.914 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -51.92 -37.46 52.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 63.350000000000001 110.899 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -55.36 -34.56 64.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 70.010000000000005 110.888 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.72 22.69 6.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 74.340000000000003 110.897 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 54.81 52.7 11.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.439999999999998 110.848 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.02 149.18 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 74.329999999999998 111.098 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.3 t -106.15 144.51 32.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 54.549999999999997 111.135 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -53.07 -41.99 65.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.099999999999994 110.92 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.77 -22.47 47.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 71.409999999999997 110.83 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -83.18 -65.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 71.030000000000001 110.915 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.4 mm -55.63 -48.54 77.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 111.167 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -52.87 -27.08 16.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 74.430000000000007 110.857 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 70.2 m -87.14 -29.04 22.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 65.450000000000003 111.133 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -78.31 -62.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 73.030000000000001 110.869 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 mt -53.57 -49.93 66.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 64.25 110.927 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -50.06 -56.33 11.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 75.540000000000006 110.918 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -24.91 22.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 73.120000000000005 110.942 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.58 -28.61 24.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.349999999999994 111.093 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.8 p -105.4 -170.35 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 73.340000000000003 110.846 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -52.19 167.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 75.25 110.828 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -97.48 28.67 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 75.120000000000005 110.868 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.7 p -104.74 58.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 61.240000000000002 111.158 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 58.31 21.97 8.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 74.129999999999995 110.924 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 51.8 80.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 74.340000000000003 112.526 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.9 -58.44 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 71.409999999999997 111.099 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -69.98 -10.75 59.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.209999999999994 110.922 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -36.65 84.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 75.439999999999998 110.876 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -81.52 -13.44 58.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 74.230000000000004 110.856 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -68.52 -63.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 110.949 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -21.88 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 71.239999999999995 111.156 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -85.19 -22.5 28.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 73.409999999999997 110.923 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -50.0 -31.11 11.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 73.439999999999998 110.879 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.9 m -53.91 -31.47 50.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 73.420000000000002 110.822 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -86.44 -61.13 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 73.319999999999993 110.932 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 56.9 mtp -49.53 -32.17 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 64.409999999999997 110.86 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.6 ttt -74.68 -41.48 60.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 72.209999999999994 110.881 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -57.83 -55.35 36.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 71.540000000000006 110.87 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.13 -30.31 70.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 74.239999999999995 110.904 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.46 30.28 58.64 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.755 -0.736 . . . . 65.219999999999999 112.475 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 pp -113.49 26.47 10.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 75.109999999999999 110.933 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.7 t -66.59 173.55 3.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 73.540000000000006 111.127 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 120.72 24.2 2.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 72.409999999999997 112.479 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -85.12 -57.44 3.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.897 0.38 . . . . 73.310000000000002 110.931 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -136.6 70.08 59.71 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.587 0.708 . . . . 73.510000000000005 110.833 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 154.59 67.65 Favored 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.688 2.259 . . . . 75.510000000000005 112.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.9 134.19 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 70.430000000000007 110.892 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 m -86.93 123.68 32.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 60.020000000000003 110.836 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.2 t -156.64 119.84 4.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 74.239999999999995 110.832 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.3 p -165.65 160.14 17.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 64.230000000000004 110.827 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 22.1 m -116.15 123.87 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 71.349999999999994 111.151 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -115.71 -28.36 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.340000000000003 110.826 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -55.91 -53.17 60.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 75.129999999999995 110.887 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -51.81 -44.63 63.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 72.109999999999999 110.888 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.05 -45.19 89.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 72.109999999999999 111.143 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.35 120.02 18.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.319999999999993 111.069 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -143.77 -177.42 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 73.430000000000007 111.084 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.3 pp -105.5 168.26 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 110.911 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 72.349999999999994 110.905 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.149 0 CA-C-O 120.747 0.228 . . . . 73.010000000000005 112.367 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -102.85 33.16 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 73.200000000000003 110.891 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -85.07 134.84 34.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 75.450000000000003 110.924 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -78.25 145.56 35.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 72.439999999999998 110.884 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.5 mt -71.04 -54.46 11.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 73.129999999999995 110.916 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.21 128.18 35.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 50.229999999999997 111.111 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.7 m -129.75 174.36 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 62.340000000000003 110.891 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 pp -129.66 22.18 5.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 72.409999999999997 110.929 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.19 88.64 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 74.219999999999999 110.91 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -108.44 10.21 27.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 75.219999999999999 110.85 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -113.05 26.22 10.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 61.030000000000001 110.875 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mmt -99.49 -42.3 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.519999999999996 110.872 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.87 -73.15 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 75.140000000000001 110.914 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.49 61.61 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 74.129999999999995 110.904 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 t -58.34 -26.72 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 74.549999999999997 111.142 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.28 -8.06 58.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.040000000000006 111.098 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.68 -24.67 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 73.409999999999997 111.071 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.7 131.48 37.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 74.400000000000006 110.906 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 42.8 p -143.12 121.89 12.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 70.120000000000005 111.161 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tptt 178.95 162.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 74.140000000000001 110.934 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -76.77 -67.84 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 74.299999999999997 110.879 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.95 -47.65 13.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 65.120000000000005 111.063 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -47.71 -33.8 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 74.219999999999999 110.859 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.14 -48.36 24.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 45.119999999999997 111.084 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.25 -39.0 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 74.200000000000003 110.911 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -62.8 -26.17 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 75.319999999999993 110.894 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.2 mt -82.17 -45.64 14.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 74.209999999999994 110.904 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.26 -25.19 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 75.109999999999999 111.103 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -54.32 -58.98 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 72.239999999999995 110.939 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -66.65 -30.36 70.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 74.329999999999998 110.896 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.0 mt -71.61 -21.06 61.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 74.010000000000005 110.915 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 54.9 mtm -93.92 -21.67 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 75.450000000000003 110.926 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.03 -57.09 1.04 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 63.439999999999998 112.478 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -65.76 114.78 5.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 65.129999999999995 110.871 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -78.06 -48.95 14.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 64.120000000000005 110.875 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -28.02 64.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 64.530000000000001 110.929 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.2 tp -85.74 -56.14 3.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.140000000000001 110.881 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.64 -30.09 20.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.439999999999998 111.11 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -56.76 -40.76 76.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 75.430000000000007 110.876 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.44 -18.31 32.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 72.549999999999997 111.098 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.8 -57.1 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 60.100000000000001 111.087 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.84 -29.23 26.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.349999999999994 110.964 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.66 -26.29 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 74.120000000000005 111.086 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -67.31 -53.88 25.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 74.329999999999998 110.923 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -47.3 -54.46 10.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 75.209999999999994 110.925 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.92 -36.24 48.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 73.340000000000003 110.911 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -56.53 -34.03 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 65.430000000000007 110.889 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.11 25.83 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 73.549999999999997 110.832 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 51.62 51.48 16.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 74.310000000000002 110.858 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.66 158.06 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 65.230000000000004 111.095 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.1 t -115.97 143.82 44.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 73.400000000000006 111.174 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -52.35 -45.71 65.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.140000000000001 110.865 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -55.5 -25.56 37.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 72.140000000000001 110.854 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -83.03 -66.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 75.510000000000005 110.913 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.3 mm -53.81 -27.66 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 74.310000000000002 111.137 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.74 -56.62 9.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 72.420000000000002 110.85 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.4 p -57.85 -20.12 33.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 72.109999999999999 111.142 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -86.26 -61.3 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 75.120000000000005 110.845 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.06 -47.51 86.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 75.439999999999998 110.928 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.0 -50.39 58.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.230000000000004 110.893 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.84 -25.01 17.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 64.109999999999999 110.916 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.9 -32.64 34.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 72.420000000000002 111.099 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 m -97.86 -179.33 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 74.109999999999999 110.86 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -57.95 163.01 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 74.340000000000003 110.895 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -81.97 59.53 4.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 71.010000000000005 110.891 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.8 m -135.15 48.97 2.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 71.420000000000002 111.149 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 61.9 18.84 10.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 62.329999999999998 110.894 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 53.13 89.75 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 71.430000000000007 112.476 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.31 -58.53 3.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 70.010000000000005 111.078 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -68.45 -14.75 63.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 73.329999999999998 110.877 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.05 -37.16 83.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 72.239999999999995 110.928 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -82.48 -13.91 55.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 64.420000000000002 110.875 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -63.23 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 71.140000000000001 110.904 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -23.16 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.129999999999995 111.105 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -85.47 -22.41 28.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 73.430000000000007 110.931 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.41 -31.31 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 64.400000000000006 110.928 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 t -52.29 -30.5 28.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 64.010000000000005 110.838 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -86.43 -60.04 2.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 73.239999999999995 110.897 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 47.8 mtp -50.44 -31.21 14.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 74.430000000000007 110.895 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.2 tpt -77.8 -42.4 33.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.040000000000006 110.893 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -57.01 -62.59 1.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 110.873 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.32 -31.81 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 75.299999999999997 110.926 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 67.43 36.07 88.23 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.722 -0.751 . . . . 65.120000000000005 112.547 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.17 26.6 10.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.943 0.401 . . . . 71.340000000000003 110.95 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.0 t -67.09 157.11 34.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 74.349999999999994 111.133 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 162.75 46.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 73.340000000000003 112.455 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -113.06 -169.86 1.57 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.837 0.351 . . . . 73.109999999999999 110.928 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -54.72 137.42 63.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.733 . . . . 73.519999999999996 110.928 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 129.56 17.86 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 65.340000000000003 112.368 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -119.37 166.75 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 72.230000000000004 110.909 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.7 t -129.38 90.24 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 71.129999999999995 110.884 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 t -161.8 157.69 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 74.010000000000005 110.87 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.5 p -179.39 -175.53 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 64.120000000000005 110.843 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.4 p -164.85 132.91 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 75.109999999999999 111.138 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -116.06 -22.91 8.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 72.430000000000007 110.86 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -53.51 -28.02 28.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 75.219999999999999 110.875 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -55.96 -25.16 42.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 71.129999999999995 110.932 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.22 -33.01 72.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 63.140000000000001 111.067 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 62.82 28.5 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 74.319999999999993 111.098 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.64 137.12 58.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.420000000000002 111.068 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.2 mt -111.42 96.14 5.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.099999999999994 110.895 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 73.129999999999995 110.93 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.466 -0.096 0 CA-C-O 120.806 0.253 . . . . 74.310000000000002 112.335 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -118.18 29.9 7.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 63.020000000000003 110.898 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -95.06 92.64 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 65.340000000000003 110.849 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -119.54 82.05 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 73.430000000000007 110.953 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.24 35.45 3.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.109999999999999 110.913 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -121.59 169.16 10.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 70.120000000000005 111.096 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 p -93.93 168.34 11.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.040000000000006 110.822 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 tt -115.96 92.87 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 61.420000000000002 110.941 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -87.39 98.97 11.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.209999999999994 110.936 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -118.53 18.31 13.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.310000000000002 110.9 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -113.94 22.57 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 65.140000000000001 110.905 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 21.0 mmt -100.0 -38.9 8.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 73.019999999999996 110.922 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.88 -66.93 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 75.319999999999993 110.836 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.4 p30 40.71 66.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.219999999999999 110.888 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.6 t -66.08 -29.19 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 73.329999999999998 111.134 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.97 -8.39 59.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 60.409999999999997 111.093 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.43 -13.14 12.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 111.092 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.85 138.54 39.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 71.420000000000002 110.936 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.2 p -142.75 121.72 12.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 71.319999999999993 111.133 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 177.6 155.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 71.030000000000001 110.906 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -76.23 -67.75 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 72.5 110.847 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.71 -46.74 15.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 71.120000000000005 111.113 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -48.78 -32.03 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 73.219999999999999 110.849 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.41 -53.96 20.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 65.209999999999994 111.068 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.03 -29.53 60.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 61.530000000000001 110.865 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -59.01 -35.0 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 74.420000000000002 110.944 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mt -87.14 -40.51 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 110.922 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.61 -25.44 67.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 74.219999999999999 111.077 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -61.63 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 73.340000000000003 110.938 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -58.86 -32.02 69.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 71.319999999999993 110.9 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.9 mt -71.37 -25.15 62.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 73.450000000000003 110.948 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.0 mtm -97.38 2.86 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 71.230000000000004 110.834 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.19 -43.38 0.66 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 63.32 112.513 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -86.51 112.01 21.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.337 . . . . 71.530000000000001 110.915 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -72.1 -29.95 64.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 72.25 110.885 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -37.19 62.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 72.099999999999994 110.905 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.1 tp -77.69 -52.02 9.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 73.420000000000002 110.918 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.79 -34.47 53.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 74.409999999999997 111.073 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.35 -40.71 71.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 74.409999999999997 110.823 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.17 -18.2 32.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 75.010000000000005 111.116 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.79 -57.75 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 75.239999999999995 111.096 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -52.31 -28.94 21.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 72.430000000000007 110.92 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.57 -28.67 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 73.450000000000003 111.141 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -67.14 -49.94 63.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 65.239999999999995 110.923 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -49.37 -55.56 12.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 73.409999999999997 110.919 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.41 -33.6 54.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 75.230000000000004 110.895 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -57.17 -29.23 63.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 75.319999999999993 110.828 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -101.08 25.38 8.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 73.530000000000001 110.881 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 52.64 49.19 20.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 75.239999999999995 110.851 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.79 157.48 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 72.010000000000005 111.144 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 t -115.51 143.7 44.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 75.120000000000005 111.147 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.66 -45.28 66.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 75.319999999999993 110.887 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -55.27 -25.45 33.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 64.439999999999998 110.876 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -83.23 -66.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 110.946 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.1 mm -52.54 -41.99 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 62.450000000000003 111.106 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -55.67 -55.98 25.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 64.010000000000005 110.879 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 46.5 m -58.19 -19.79 36.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 65.230000000000004 111.163 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -85.98 -61.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 73.239999999999995 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.4 -47.25 86.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 75.349999999999994 110.862 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -51.05 -49.15 61.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 75.040000000000006 110.888 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.25 -24.97 20.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 73.299999999999997 110.91 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.98 -20.11 18.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 75.400000000000006 111.082 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 t -90.85 -169.28 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 74.230000000000004 110.809 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -92.45 -167.72 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 71.129999999999995 110.868 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -60.77 -167.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.519999999999996 110.908 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.5 p 59.6 28.41 17.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 74.530000000000001 111.128 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 58.79 48.48 11.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 72.040000000000006 110.93 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.19 97.25 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 63.210000000000001 112.502 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.49 -58.34 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 73.140000000000001 111.073 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -68.82 -11.74 60.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 110.911 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -34.42 78.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 75.299999999999997 110.888 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -82.62 -14.13 55.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 75.030000000000001 110.929 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -69.21 -63.24 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 72.400000000000006 110.887 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -21.91 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.049999999999997 111.156 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -85.71 -22.84 27.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 75.349999999999994 110.919 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -49.4 -32.19 11.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 71.310000000000002 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.5 m -53.18 -34.73 58.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 70.129999999999995 110.869 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -78.84 -59.74 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 71.150000000000006 110.897 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.5 mtm -50.6 -30.89 14.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.439999999999998 110.834 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.9 mmm -76.37 -51.19 12.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 75.409999999999997 110.845 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -52.21 -46.31 65.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 70.329999999999998 110.845 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -71.91 -32.74 67.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 75.120000000000005 110.917 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.96 34.26 34.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 72.230000000000004 112.467 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.0 pp -123.91 27.77 7.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.885 0.374 . . . . 74.25 110.869 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.9 t -65.88 167.57 9.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.030000000000001 111.16 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.24 39.39 0.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 64.019999999999996 112.509 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -96.66 38.19 1.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 74.319999999999993 110.947 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 59.3 84.31 0.2 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.645 0.736 . . . . 74.540000000000006 110.883 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 172.53 12.45 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.655 2.237 . . . . 75.140000000000001 112.401 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -91.29 163.0 14.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 73.519999999999996 110.863 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.6 p -112.51 -32.23 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 62.240000000000002 110.841 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.6 t -62.11 153.7 29.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 72.010000000000005 110.851 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.4 p -162.45 179.08 8.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 72.329999999999998 110.858 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.7 m -135.23 133.44 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 71.439999999999998 111.171 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -112.23 -35.97 5.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 63.219999999999999 110.85 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -57.6 -36.34 71.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 73.530000000000001 110.907 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.9 mp -66.67 -38.85 87.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 64.209999999999994 110.899 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.17 -35.08 47.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.5 111.048 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.61 169.74 14.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 73.420000000000002 111.066 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -134.76 143.3 47.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.340000000000003 111.104 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.9 mt 59.03 53.35 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 75.310000000000002 110.923 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 71.409999999999997 110.864 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.117 0 CA-C-O 120.774 0.239 . . . . 72.439999999999998 112.343 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.2 m120 55.64 44.35 26.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 75.340000000000003 110.882 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -79.98 66.89 5.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 72.519999999999996 110.88 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -142.52 137.13 29.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 73.329999999999998 110.885 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mp -88.02 77.79 8.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 73.329999999999998 110.939 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -166.91 126.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 61.340000000000003 111.087 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.6 m -117.67 -174.99 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 72.120000000000005 110.89 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -111.59 28.36 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 74.400000000000006 110.934 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -90.36 47.13 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 70.219999999999999 110.854 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -102.63 6.52 39.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 74.409999999999997 110.901 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.69 35.92 4.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 74.150000000000006 110.914 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.9 mmm -107.11 -38.33 6.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 71.430000000000007 110.826 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -142.97 -74.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 72.409999999999997 110.861 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 48.2 66.4 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 73.549999999999997 110.872 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.0 m -59.5 -18.9 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 111.119 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.23 -8.86 57.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 61.030000000000001 111.118 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.37 -23.14 7.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 73.420000000000002 111.069 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.47 134.78 34.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 74.120000000000005 110.913 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -142.32 122.12 13.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 72.25 111.181 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 178.85 154.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 74.400000000000006 110.868 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -76.43 -67.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 74.109999999999999 110.862 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.85 -47.46 13.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 72.239999999999995 111.099 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.64 -33.99 7.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 71.530000000000001 110.903 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.94 -40.93 45.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 74.420000000000002 111.11 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -28.57 69.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 73.209999999999994 110.845 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -78.73 -28.1 44.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 75.329999999999998 110.905 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.08 -46.57 64.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 74.310000000000002 110.882 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.98 -25.32 59.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 74.430000000000007 111.117 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -51.22 -54.57 24.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 71.430000000000007 110.879 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -69.14 -31.4 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.549999999999997 110.945 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.5 mt -68.49 -25.52 65.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 75.340000000000003 110.941 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.7 mtp -96.82 -17.83 19.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 65.409999999999997 110.883 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.89 -37.15 6.46 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 64.219999999999999 112.485 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -104.81 117.87 35.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 71.129999999999995 110.915 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -78.42 -22.89 47.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 71.319999999999993 110.859 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -43.45 78.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 73.109999999999999 110.922 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.2 tp -77.89 -46.24 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 75.109999999999999 110.957 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.62 -26.72 34.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 72.239999999999995 111.166 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.3 -42.99 96.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 60.340000000000003 110.859 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.59 -21.56 26.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 73.450000000000003 111.11 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.01 -56.43 4.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 60.119999999999997 111.144 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.47 -31.12 22.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 73.450000000000003 110.921 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.4 -27.97 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.540000000000006 111.157 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -62.08 -54.85 35.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 63.310000000000002 110.908 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -47.67 -53.84 13.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 74.329999999999998 110.944 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -53.36 -34.78 58.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 71.340000000000003 110.962 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -57.89 -33.14 68.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 110.863 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.71 25.42 5.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.129999999999995 110.866 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 51.87 54.86 10.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 72.409999999999997 110.86 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.93 147.76 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 72.450000000000003 111.154 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.5 t -105.0 144.8 31.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.349999999999994 111.155 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -53.02 -43.03 66.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 75.299999999999997 110.911 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -56.69 -22.46 35.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 71.340000000000003 110.88 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -83.53 -65.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 72.340000000000003 110.893 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.3 mm -56.02 -47.25 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 74.409999999999997 111.148 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -54.48 -25.44 25.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 74.409999999999997 110.842 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.7 m -87.48 -25.95 23.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 74.409999999999997 111.12 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -85.67 -63.84 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.209999999999994 110.876 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 mt -51.05 -51.07 56.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 74.420000000000002 110.909 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -51.44 -49.35 61.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 71.010000000000005 110.916 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.85 -25.16 26.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 64.420000000000002 110.932 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.97 -29.5 64.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 73.0 111.119 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.0 t -99.05 -62.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 75.430000000000007 110.881 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 59.05 64.81 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 74.430000000000007 110.862 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -138.59 -67.08 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 75.329999999999998 110.906 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -135.65 69.19 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 73.430000000000007 111.151 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 52.4 29.46 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 62.109999999999999 110.932 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.04 80.65 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 73.349999999999994 112.496 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.4 -58.67 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.81 0.338 . . . . 73.510000000000005 111.044 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -14.07 61.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 74.450000000000003 110.923 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -35.18 75.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 73.230000000000004 110.896 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -81.87 -13.56 57.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 71.540000000000006 110.888 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -70.28 -63.31 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 64.329999999999998 110.927 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -22.1 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.019999999999996 111.116 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -85.27 -23.25 28.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 75.510000000000005 110.931 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -50.97 -30.87 16.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 72.209999999999994 110.864 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.2 m -54.73 -29.4 53.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.049999999999997 110.883 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -86.32 -60.89 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 75.540000000000006 110.905 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 56.1 mtm -50.84 -35.07 30.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 74.219999999999999 110.859 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.6 ttt -70.7 -41.98 71.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 70.209999999999994 110.85 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -22.88 61.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 65.25 110.875 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -83.99 -34.15 24.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 73.140000000000001 110.898 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.61 38.96 11.22 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 63.420000000000002 112.492 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -138.92 8.96 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 72.019999999999996 110.947 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.75 162.48 3.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 64.420000000000002 111.148 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 124.61 31.25 0.91 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 62.219999999999999 112.475 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -78.41 -63.78 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 75.299999999999997 110.905 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -148.17 72.56 11.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 73.239999999999995 110.928 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 145.42 57.29 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 73.450000000000003 112.354 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -123.7 171.96 9.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 73.129999999999995 110.894 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.3 p -75.25 106.61 6.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 63.049999999999997 110.881 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.8 t -135.25 138.21 43.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 73.439999999999998 110.871 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.7 m -156.95 162.93 39.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 71.530000000000001 110.865 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.6 m -145.82 149.19 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 72.510000000000005 111.143 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -128.83 26.34 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 72.140000000000001 110.898 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -82.91 -45.4 14.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 75.519999999999996 110.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.3 mt -51.99 -30.66 26.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 71.049999999999997 110.913 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.4 -44.1 96.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 62.539999999999999 111.098 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -110.59 75.6 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 72.430000000000007 111.068 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -132.74 155.42 48.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 75.25 111.044 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.3 tp -110.29 138.7 46.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 73.540000000000006 110.945 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.120000000000005 110.891 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.789 0.328 . . . . 65.04 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -113.84 27.12 9.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 73.41 110.899 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -100.58 -43.16 6.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 71.32 110.863 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -136.79 -72.85 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 71.34 110.912 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 50.06 61.82 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 62.12 110.859 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.9 t -58.33 -25.86 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 74.23 111.117 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.63 -8.25 59.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 72.1 111.101 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.46 -24.35 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 72.22 111.084 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.861 HD22 HD13 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -92.62 132.15 37.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 61.44 110.881 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.3 p -143.16 121.93 12.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 41.4 111.152 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 177.79 161.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 51.43 110.878 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.1 mmt-85 -75.93 -67.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 65.33 110.882 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.22 -45.82 17.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 73.54 111.105 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.23 -32.2 10.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 63.5 110.904 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.681 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -80.36 -47.57 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 61.22 111.065 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 2.5 ttmt -55.93 -36.28 67.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.52 110.921 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -67.44 -45.52 75.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 64.11 110.889 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.861 HD13 HD22 ' A' ' 18' ' ' LEU . 24.0 mt -63.22 -39.76 95.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 73.22 110.937 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.517 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . . . -71.77 -34.95 69.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 72.42 111.116 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -51.54 -61.57 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 74.14 110.881 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -60.51 -21.89 62.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 52.43 110.916 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.708 HD13 ' CH2' ' A' ' 45' ' ' TRP . 34.5 mt -86.04 -10.9 54.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 70.44 110.942 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.2 mtm -104.45 -21.76 13.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 64.24 110.89 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.83 -51.41 1.65 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.748 . . . . 72.1 112.467 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -73.65 111.38 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 64.4 110.867 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -72.9 -50.33 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 71.23 110.906 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -27.93 57.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 70.1 110.898 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.6 tp -85.39 -54.98 4.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.31 110.919 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -54.37 -27.7 38.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 64.23 111.097 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.52 -41.44 80.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 63.11 110.855 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.82 -17.71 32.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 54.53 111.086 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.517 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.98 -56.69 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 64.42 111.14 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -29.47 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 71.21 110.943 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.8 -26.96 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 74.11 111.138 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.6 t90 -64.52 -56.92 10.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 64.42 110.914 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.708 ' CH2' HD13 ' A' ' 31' ' ' LEU . 7.0 m0 -47.13 -55.75 7.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 64.14 110.884 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -51.13 -38.04 49.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 61.2 110.949 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -54.72 -33.17 60.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 52.03 110.836 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -96.53 25.75 4.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 41.14 110.879 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.74 50.62 18.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.821 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.635 HG21 HD11 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -70.95 157.77 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 73.21 111.141 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 t -111.99 143.64 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 63.14 111.169 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -53.74 -43.88 69.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 63.24 110.933 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.75 -24.33 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 61.01 110.891 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -83.14 -66.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.936 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.742 HG22 HD12 ' A' ' 59' ' ' LEU . 44.0 mm -54.34 -29.72 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.45 111.1 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.49 -57.2 8.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.857 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.5 m -58.37 -19.66 37.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 44.45 111.097 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.672 ' HA ' HD23 ' A' ' 61' ' ' LEU . 18.0 t80 -86.26 -59.69 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.1 110.86 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.742 HD12 HG22 ' A' ' 55' ' ' ILE . 0.8 OUTLIER -63.04 -47.66 82.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 70.13 110.941 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -50.76 -50.4 55.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.31 110.923 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.681 HD21 ' HB1' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -53.73 -25.49 18.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 64.13 110.917 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.517 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.44 111.11 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.461 -0.256 . . . . 71.14 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.08 -58.37 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 74.15 111.105 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -69.94 -10.94 60.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.909 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.504 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -66.58 -36.44 82.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 74.03 110.909 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -82.58 -13.89 55.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 55.3 110.896 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -70.21 -63.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.915 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -70.73 -23.05 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 61.44 111.121 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.658 ' CE1' HG21 ' A' ' 55' ' ' ILE . 35.4 t80 -85.45 -22.45 28.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 65.41 110.901 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.46 -29.67 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 71.45 110.884 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.7 m -52.64 -32.34 41.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 64.24 110.878 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -86.61 -60.11 2.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 74.32 110.973 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 42.9 mtp -49.56 -31.37 10.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 74.43 110.866 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.9 tpp -76.62 -40.98 47.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.882 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -48.73 72.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.872 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.49 -33.48 64.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.04 110.922 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 61.45 112.524 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.844 0.354 . . . . 71.3 110.92 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -113.55 31.48 6.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 72.44 110.886 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 85.3 mmm -106.54 -41.74 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.882 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.593 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -137.43 -73.37 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.3 110.874 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 49.35 62.3 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 73.42 110.915 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 t -58.19 -26.88 30.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 74.33 111.138 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.08 -8.02 58.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 61.23 111.066 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.61 -24.74 7.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 52.32 111.115 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.002 HD22 HD13 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -93.02 130.18 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 74.35 110.917 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.3 p -143.75 121.66 12.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 73.52 111.115 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 8.1 tptp 178.84 162.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.88 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -76.66 -66.98 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 63.13 110.903 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.14 -48.0 13.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 51.24 111.091 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.44 -53.78 16.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 62.13 110.88 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 20' ' ' LYS . . . -67.06 -24.65 65.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 41.44 111.104 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -76.38 -27.94 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.879 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -79.45 -32.78 42.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 71.1 110.895 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.002 HD13 HD22 ' A' ' 18' ' ' LEU . 7.4 mt -67.0 -43.11 83.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 73.54 110.874 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.583 ' HB3' ' CB ' ' A' ' 62' ' ' ALA . . . -72.01 -25.6 61.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 71.1 111.098 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -55.51 -60.26 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 64.41 110.894 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -62.47 -29.99 70.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.888 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.678 HD13 ' CH2' ' A' ' 45' ' ' TRP . 38.6 mt -73.47 -23.27 60.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.891 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 78.6 mtp -91.38 -21.2 21.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 71.22 110.866 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.85 -53.05 1.33 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 42.35 112.459 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -71.7 114.67 10.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.855 0.36 . . . . 53.11 110.899 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.96 -49.05 14.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.874 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -28.11 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.899 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.2 tp -85.59 -51.67 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 75.31 110.921 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -55.39 -29.12 57.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 62.44 111.097 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.32 -41.3 79.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.836 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.86 -17.88 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 53.33 111.116 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.456 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -79.97 -57.39 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 61.33 111.093 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.48 -29.47 16.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 65.1 110.911 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.97 -29.92 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 74.35 111.137 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -61.16 -55.33 33.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 75.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.678 ' CH2' HD13 ' A' ' 31' ' ' LEU . 7.9 m0 -46.89 -52.74 13.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 72.42 110.903 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -50.83 -38.25 47.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 63.32 110.922 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -54.65 -33.68 61.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.855 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -95.44 25.2 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 54.43 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 51.39 43.57 29.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 70.45 110.844 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.472 HG21 HD11 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -61.71 153.23 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 52.3 111.12 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.1 t -109.02 143.59 38.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 64.43 111.127 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.7 -42.39 71.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 72.22 110.916 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -57.38 -22.95 46.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 72.45 110.919 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -66.27 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 63.44 110.904 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.673 HG21 ' CE1' ' A' ' 75' ' ' TYR . 46.6 mm -55.27 -29.05 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 74.11 111.117 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -71.01 -29.47 65.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 72.53 110.871 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.1 m -86.94 -19.73 28.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 72.11 111.129 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.778 ' HA ' HD23 ' A' ' 61' ' ' LEU . 15.6 t80 -86.47 -64.13 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 55.55 110.922 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.67 HD12 ' CG2' ' A' ' 55' ' ' ILE . 0.7 OUTLIER -53.98 -49.24 69.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.94 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -51.41 -50.39 59.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 61.54 110.957 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.778 HD23 ' HA ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -55.03 -24.61 25.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.952 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.583 ' CB ' ' HB3' ' A' ' 28' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 53.31 111.117 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.488 -0.245 . . . . 43.12 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.27 -58.6 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 74.43 111.043 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -10.77 59.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 70.53 110.925 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.503 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -66.13 -34.5 78.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.926 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.53 -13.81 56.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.03 110.897 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -67.89 -63.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 73.21 110.875 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -20.64 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 73.25 111.133 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.673 ' CE1' HG21 ' A' ' 55' ' ' ILE . 45.0 t80 -85.22 -21.62 29.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 74.05 110.912 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -46.75 -34.61 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 75.25 110.914 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.1 m -52.11 -42.22 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 72.23 110.866 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -67.6 -60.79 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.894 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 33.6 mtp -52.4 -29.21 23.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 60.01 110.856 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -70.68 -38.19 73.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 54.42 110.863 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -73.33 -48.08 37.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 70.44 110.908 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.23 -32.74 73.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.15 110.927 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 40.05 112.472 179.845 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.868 0.366 . . . . 75.35 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -114.08 24.28 12.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 74.11 110.883 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 mmt -97.76 -42.52 7.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.861 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.551 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -136.31 -73.16 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 62.45 110.886 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 49.94 63.38 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 54.35 110.861 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 t -59.77 -27.03 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 74.14 111.112 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.05 -8.06 58.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 54.11 111.111 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.07 -24.27 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 75.15 111.115 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.974 HD22 HD13 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -93.14 131.75 37.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.95 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.0 p -143.42 121.93 12.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 65.44 111.171 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.0 OUTLIER 177.77 158.72 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 71.44 110.953 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -76.16 -60.74 2.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 64.22 110.891 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.53 -48.65 13.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.096 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.31 -56.72 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.2 110.871 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.71 ' CB ' HD21 ' A' ' 61' ' ' LEU . . . -60.69 -30.43 69.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 65.02 111.126 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -73.34 -28.26 61.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 74.34 110.879 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.65 -36.9 37.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 71.4 110.872 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.974 HD13 HD22 ' A' ' 18' ' ' LEU . 1.8 mt -65.91 -47.58 74.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 60.05 110.902 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB3' ' CB ' ' A' ' 62' ' ' ALA . . . -68.41 -25.44 65.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 71.33 111.096 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -54.0 -61.66 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.45 110.906 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -64.01 -32.8 74.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 64.31 110.912 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.651 HD13 ' CH2' ' A' ' 45' ' ' TRP . 51.8 mt -66.79 -26.17 66.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.912 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 58.5 mtm -94.12 3.2 55.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.899 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.42 -55.82 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 61.21 112.457 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -74.65 115.98 14.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 73.43 110.871 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -75.74 -39.31 57.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 51.41 110.856 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -34.22 75.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 61.43 110.89 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -84.72 -52.94 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 74.01 110.976 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -51.64 -35.3 41.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 74.21 111.135 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -56.44 -39.65 73.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 62.42 110.868 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.64 -18.76 30.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.34 111.092 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.448 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.89 -57.65 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 63.11 111.085 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.82 -29.08 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.942 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.74 -29.69 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 51.24 111.121 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -62.19 -55.35 29.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 74.53 110.921 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.651 ' CH2' HD13 ' A' ' 31' ' ' LEU . 8.3 m0 -47.17 -55.17 8.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 73.03 110.879 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -51.15 -41.23 59.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 73.21 110.952 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -31.93 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 63.43 110.845 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.42 24.98 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 72.54 110.878 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 51.39 54.18 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.828 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.675 HG21 HD11 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -76.84 157.74 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 61.03 111.144 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.8 t -114.67 143.97 44.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 70.12 111.123 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.11 -43.0 66.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 70.31 110.893 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.24 -24.15 58.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 71.4 110.907 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -65.97 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.937 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.68 HG21 ' CE1' ' A' ' 75' ' ' TYR . 44.6 mm -53.2 -39.17 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.127 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -57.04 -57.39 12.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 51.13 110.865 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.2 m -56.73 -20.55 22.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 63.43 111.124 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.673 ' HA ' HD23 ' A' ' 61' ' ' LEU . 15.9 t80 -85.92 -65.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 62.3 110.862 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.65 HD12 ' CG2' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -56.78 -48.07 78.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 65.44 110.906 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -50.56 -52.03 42.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 62.15 110.874 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.71 HD21 ' CB ' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -54.55 -25.46 26.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 74.23 110.889 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.584 ' CB ' ' HB3' ' A' ' 28' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.34 111.137 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.489 -0.245 . . . . 44.44 112.489 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.73 -58.73 5.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 55.33 111.058 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -70.54 -15.09 62.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 74.23 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.503 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -64.36 -31.72 73.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 73.32 110.936 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.7 -13.9 55.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 74.51 110.879 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -73.24 -63.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.884 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -24.02 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.32 111.1 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.68 ' CE1' HG21 ' A' ' 55' ' ' ILE . 39.1 t80 -85.45 -22.81 28.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.942 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -50.41 -30.67 12.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 72.3 110.862 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 m -54.49 -28.82 47.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 61.22 110.885 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -84.34 -57.88 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.873 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.3 mtt -50.12 -33.54 19.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 74.33 110.873 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.1 ptp -79.8 -34.48 39.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 73.12 110.876 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -53.65 -60.88 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 61.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.3 mp -78.64 -33.56 47.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 51.34 110.938 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 73.21 112.49 179.846 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.79 0.329 . . . . 71.04 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -111.38 29.96 7.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 71.04 110.874 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mmt -106.27 -39.89 5.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.898 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.433 ' CE2' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -138.22 -70.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 75.33 110.894 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.434 ' CG ' ' HB3' ' A' ' 17' ' ' ALA . 10.7 t-20 47.26 61.22 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.34 110.882 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.584 ' HA ' HD23 ' A' ' 18' ' ' LEU . 10.0 t -58.09 -26.86 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 64.21 111.092 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.71 -7.73 58.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 70.13 111.042 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.434 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . . . -119.24 -14.8 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 65.32 111.127 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 19' ' ' THR . 0.3 OUTLIER -95.41 150.4 20.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 70.35 110.886 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.665 ' N ' HD12 ' A' ' 18' ' ' LEU . 31.8 p -141.61 -172.68 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 42.45 111.164 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.7 mttp 70.88 140.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 65.34 110.895 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.541 ' HA ' HD13 ' A' ' 61' ' ' LEU . 6.4 ttt-85 -74.44 -33.1 62.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.904 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.03 -60.41 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 72.14 111.091 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -58.67 -39.19 79.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.34 110.86 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.604 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -67.48 -51.94 45.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 71.22 111.087 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.84 -29.34 54.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 73.44 110.908 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -73.31 -30.47 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 74.15 110.88 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 mt -87.09 -30.38 21.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 74.42 110.902 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . . . -78.99 -25.13 43.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.33 111.121 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -21.84 64.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.865 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -103.02 -22.95 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 63.32 110.929 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.681 HD13 ' CH2' ' A' ' 45' ' ' TRP . 29.4 mt -80.99 -2.57 48.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 70.34 110.931 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 34.3 mtm -118.89 -32.47 4.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 65.33 110.9 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.51 -20.28 64.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.746 . . . . 72.02 112.495 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -116.41 112.99 22.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 63.14 110.893 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -78.57 -21.9 47.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 53.21 110.856 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -69.0 -42.13 76.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 71.34 110.876 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.3 tp -83.08 -47.36 11.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 64.54 110.947 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.83 -31.68 28.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 45.32 111.083 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.94 -41.58 83.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 52.24 110.87 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.18 -17.48 34.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 65.41 111.084 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.81 -57.68 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 70.12 111.116 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.422 ' CE2' HD12 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -52.31 -28.29 18.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 73.22 110.946 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.422 HD12 ' CE2' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -86.01 -30.33 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 72.14 111.178 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -63.76 -53.96 42.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 72.54 110.883 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.681 ' CH2' HD13 ' A' ' 31' ' ' LEU . 9.8 m0 -47.22 -54.98 9.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 72.41 110.879 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -51.2 -38.17 50.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 75.32 110.912 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -55.34 -32.54 62.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.855 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -96.93 25.78 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 72.24 110.894 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 51.71 55.01 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 75.22 110.855 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.59 HG21 HD11 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -77.35 152.11 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 70.32 111.168 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 t -108.27 145.41 34.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.42 111.129 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -54.93 -43.14 73.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 62.34 110.922 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.46 -23.12 47.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 72.42 110.822 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -83.18 -65.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 63.33 110.897 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.681 HG21 ' CE1' ' A' ' 75' ' ' TYR . 46.8 mm -54.91 -43.1 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 52.42 111.095 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -57.54 -28.45 63.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 75.42 110.841 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.7 m -86.76 -19.45 29.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 75.53 111.14 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.7 ' HA ' HD23 ' A' ' 61' ' ' LEU . 3.8 t80 -85.8 -45.48 11.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.2 110.873 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.626 HD13 ' HD1' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -74.0 -49.38 24.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.89 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -50.39 -48.49 55.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 64.24 110.92 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.7 HD23 ' HA ' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -51.58 -28.11 13.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 71.14 110.893 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 72.05 111.076 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.504 -0.239 . . . . 45.25 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.32 -58.44 4.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 74.54 111.093 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -10.86 60.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 74.13 110.872 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.626 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -66.07 -34.93 79.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 72.13 110.879 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -80.86 -12.88 59.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 62.14 110.866 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.8 -63.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 72.22 110.906 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.37 -20.99 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 72.22 111.109 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.681 ' CE1' HG21 ' A' ' 55' ' ' ILE . 39.1 t80 -84.74 -22.52 29.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.12 110.929 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -50.52 -28.79 9.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 61.34 110.891 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -51.91 -30.67 25.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 72.43 110.85 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -86.94 -61.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.92 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.6 -31.34 10.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.889 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.7 tpt -76.69 -46.32 26.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 74.32 110.818 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -53.16 -63.01 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.879 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.88 -30.23 70.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 74.41 110.94 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 71.31 112.486 179.92 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.851 0.357 . . . . 74.33 110.922 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -109.75 24.66 12.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 70.43 110.881 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 21.5 mmt -97.5 -38.06 9.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 60.13 110.879 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -138.15 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 65.03 110.899 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.73 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 5.4 p30 40.7 66.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 64.31 110.887 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.425 HG13 ' HB2' ' A' ' 58' ' ' PHE . 7.1 t -65.53 -28.35 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 72.01 111.099 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.0 -8.36 59.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.11 111.11 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.73 ' HB3' ' HB2' ' A' ' 14' ' ' ASN . . . -114.74 -12.75 12.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 70.52 111.098 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.749 HD22 HD13 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -102.8 136.87 41.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 64.43 110.925 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.8 p -142.96 121.73 12.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 52.33 111.109 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.12 160.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 62.41 110.852 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -76.69 -67.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 73.23 110.838 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.89 -46.85 14.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 74.45 111.111 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.412 ' O ' HD12 ' A' ' 27' ' ' LEU . 1.1 t0 -48.4 -32.85 8.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 71.41 110.885 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.686 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -77.32 -40.04 45.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 61.42 111.142 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -37.38 87.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 62.14 110.907 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -62.54 -57.85 9.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 75.45 110.884 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.749 HD13 HD22 ' A' ' 18' ' ' LEU . 3.8 mt -51.84 -30.74 24.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.897 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 58' ' ' PHE . . . -79.29 -37.17 38.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.117 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.73 -60.13 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.884 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -53.87 -33.14 55.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 64.21 110.902 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.553 HD13 ' CH2' ' A' ' 45' ' ' TRP . 92.1 mt -74.41 -28.36 61.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.926 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.465 ' SD ' HD23 ' A' ' 59' ' ' LEU . 67.4 mtp -96.82 4.49 51.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.43 110.862 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.53 -21.94 4.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 24.44 112.469 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -124.74 118.55 26.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.328 . . . . 71.02 110.946 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -78.3 -23.3 47.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 64.34 110.861 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -67.02 -38.8 86.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 61.34 110.878 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.9 tp -85.32 -47.04 10.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 53.04 110.884 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -51.78 -32.6 31.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 64.01 111.095 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -56.41 -40.79 75.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.897 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.4 -18.13 32.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 65.44 111.148 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.486 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -79.88 -58.05 3.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 62.34 111.119 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -29.05 15.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 75.51 110.903 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.37 -32.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 73.42 111.111 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -62.04 -51.1 69.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 75.25 110.909 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.553 ' CH2' HD13 ' A' ' 31' ' ' LEU . 9.4 m0 -49.5 -51.86 33.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 73.32 110.903 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.04 -30.47 61.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 73.52 110.864 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -59.79 -25.48 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 73.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -107.5 25.82 11.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 72.24 110.896 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 51.75 51.53 16.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 63.33 110.856 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.615 HG21 HD11 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -70.49 147.34 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 52.45 111.184 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 t -104.65 143.59 32.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 72.22 111.147 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -53.0 -44.54 67.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 73.55 110.916 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -55.61 -24.91 35.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 63.02 110.896 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.39 -66.67 0.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.932 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.694 HG21 ' CE1' ' A' ' 75' ' ' TYR . 44.7 mm -52.32 -40.32 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.24 111.181 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -56.17 -56.27 22.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 55.1 110.854 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.4 m -57.9 -19.92 33.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 75.31 111.092 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.667 ' HA ' HD23 ' A' ' 61' ' ' LEU . 15.3 t80 -85.93 -62.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 61.42 110.902 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.629 HD12 ' CG2' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -59.7 -47.17 86.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 74.32 110.895 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -51.02 -51.0 57.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 63.43 110.909 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.686 HD21 ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -54.24 -25.25 22.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 64.05 110.912 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 74.12 111.063 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.548 -0.221 . . . . 73.14 112.548 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.32 -58.67 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 33.41 111.106 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -71.77 -9.88 58.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 62.45 110.898 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.472 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -68.5 -35.53 77.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 75.02 110.954 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -82.68 -13.88 55.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 70.21 110.89 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -67.98 -63.31 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.915 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -21.2 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.2 111.174 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.694 ' CE1' HG21 ' A' ' 55' ' ' ILE . 42.5 t80 -85.38 -22.41 28.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 74.35 110.92 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -50.36 -30.38 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.889 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 t -54.43 -28.91 47.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 65.21 110.876 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -86.47 -61.64 1.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.118 -0.492 . . . . 64.44 110.946 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 43.7 mtp -51.17 -30.47 16.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 75.11 110.899 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.9 ttt -75.5 -45.13 40.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 72.04 110.902 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -52.51 -58.07 7.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 75.03 110.871 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.5 mp -73.52 -31.53 63.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 70.31 110.896 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 75.1 112.511 179.919 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.828 0.347 . . . . 75.44 110.953 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -115.61 29.71 7.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 71.25 110.899 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.9 mmt -101.44 -41.88 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 73.15 110.899 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.538 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -137.51 -73.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 64.34 110.903 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 48.29 66.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 54.23 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.928 HG21 HD13 ' A' ' 55' ' ' ILE . 16.8 m -59.53 -18.55 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 71.22 111.105 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.48 -8.78 57.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 62.11 111.099 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.04 -22.76 7.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 75.53 111.139 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -91.28 133.93 35.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 72.0 110.919 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.9 p -142.61 122.48 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 65.33 111.129 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.28 152.56 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 75.32 110.881 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -76.46 -67.7 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 63.32 110.842 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.77 -47.89 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 72.41 111.123 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -48.45 21.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 71.4 110.869 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.608 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -63.41 -42.55 98.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.3 111.103 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.51 -27.99 51.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 64.21 110.848 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -77.19 -49.84 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 73.41 110.884 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -51.25 -37.21 45.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 70.4 110.904 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.667 ' HB2' ' CZ ' ' A' ' 58' ' ' PHE . . . -79.16 -28.27 42.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.069 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -51.99 -60.8 2.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 65.14 110.93 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -61.4 -28.38 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 75.01 110.882 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.621 HD13 ' HH2' ' A' ' 45' ' ' TRP . 58.6 mt -75.68 -19.69 58.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 60.22 110.945 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.0 mtm -95.68 -22.66 17.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 62.55 110.849 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.2 -46.78 2.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 52.23 112.479 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -80.11 109.69 14.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 51.05 110.893 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -72.57 -51.14 21.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 62.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -29.26 31.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.937 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.5 tp -85.61 -49.07 8.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 65.03 110.888 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -57.51 -26.18 60.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 62.35 111.109 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.44 -40.38 90.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 70.42 110.869 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.78 -19.65 28.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.44 111.105 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.465 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.77 -56.44 4.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 61.23 111.061 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.46 -30.1 18.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 62.25 110.892 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.86 -29.27 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 63.03 111.18 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -59.7 -59.27 5.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.892 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.621 ' HH2' HD13 ' A' ' 31' ' ' LEU . 5.9 m-90 -46.28 -55.64 6.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.431 . . . . 72.52 110.867 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -50.81 -40.08 54.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.918 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -54.93 -32.79 61.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 75.52 110.901 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -95.47 25.06 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 75.31 110.879 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 51.71 51.81 15.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.876 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.2 151.8 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 75.41 111.152 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 t -105.99 143.91 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.188 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.3 -39.0 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 65.31 110.931 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -61.22 -21.44 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 64.42 110.891 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -83.27 -66.08 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 74.52 110.899 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.928 HD13 HG21 ' A' ' 15' ' ' VAL . 47.0 mm -54.51 -44.47 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 73.5 111.177 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -56.6 -23.66 42.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 73.0 110.901 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.8 m -87.08 -26.86 23.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 75.1 111.185 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.806 ' HA ' HD23 ' A' ' 61' ' ' LEU . 14.1 t80 -85.71 -64.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 71.33 110.854 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.747 HD12 ' CG2' ' A' ' 55' ' ' ILE . 2.3 mt -49.45 -51.65 34.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 64.42 110.969 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.69 -47.39 63.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 53.52 110.904 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.806 HD23 ' HA ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -54.44 -25.58 25.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 70.04 110.907 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.636 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 71.55 111.075 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.505 -0.238 . . . . 43.42 112.505 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.54 -58.36 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.373 . . . . 73.34 111.114 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.58 -12.88 61.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 71.34 110.88 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.449 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -62.12 -35.5 78.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.901 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -81.85 -13.19 57.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 70.02 110.935 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -63.54 1.04 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 72.11 110.913 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -21.84 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 72.44 111.167 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.696 ' CE1' HG21 ' A' ' 55' ' ' ILE . 34.7 t80 -85.12 -22.27 28.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 73.54 110.924 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -49.96 -30.01 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 73.12 110.905 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.6 m -53.53 -31.89 48.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 44.12 110.876 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.482 ' CZ ' HD22 ' A' ' 82' ' ' LEU . 25.8 t80 -86.5 -60.62 1.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 74.43 110.969 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.6 mmm -49.84 -31.82 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 62.03 110.884 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.2 ttt -75.98 -44.54 39.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.13 110.876 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -61.29 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 72.21 110.861 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.482 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 8.9 mp -68.34 -30.56 69.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.882 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 75.11 112.473 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.84 0.352 . . . . 74.34 110.874 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -107.38 21.32 17.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 64.53 110.883 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 85.9 mmm -84.95 -40.24 17.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.876 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.523 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -142.92 -73.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.846 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 48.15 66.04 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 73.32 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.888 HG21 HD13 ' A' ' 55' ' ' ILE . 13.9 m -59.4 -19.52 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 75.33 111.165 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.36 -8.92 58.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.12 111.14 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.52 -22.09 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 60.2 111.09 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.652 HD22 HD13 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -93.64 137.35 32.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 72.52 110.901 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.7 p -142.39 120.75 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 62.51 111.134 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 174.32 140.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 75.41 110.917 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -74.92 -44.76 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.839 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.76 -53.24 6.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 71.05 111.077 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -49.11 -55.49 12.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 71.35 110.886 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.783 ' HB3' HD11 ' A' ' 61' ' ' LEU . . . -52.29 -29.82 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 72.51 111.133 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -40.53 77.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.875 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -79.65 -30.49 41.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.903 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.652 HD13 HD22 ' A' ' 18' ' ' LEU . 33.6 mt -66.56 -53.54 33.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.907 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.673 ' HB2' ' CZ ' ' A' ' 58' ' ' PHE . . . -68.46 -25.03 64.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 73.55 111.032 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -50.93 -61.62 2.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 74.12 110.916 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -60.7 -26.63 67.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 73.12 110.891 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.611 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 77.6 mt -74.73 -26.17 59.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 71.4 110.91 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.8 mtp -94.77 4.99 53.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 65.12 110.898 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.02 -47.15 0.31 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 75.22 112.518 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -82.47 114.13 20.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 71.45 110.894 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -70.07 -48.87 56.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 74.25 110.917 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -24.19 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 50.51 110.892 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.2 tp -85.79 -56.07 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 63.12 110.929 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -55.21 -30.3 59.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 72.42 111.076 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.26 -40.72 86.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 61.04 110.907 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.76 -19.32 29.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 61.25 111.094 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.433 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.64 -56.07 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 73.01 111.101 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.79 -30.28 32.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.963 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.68 -25.05 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 70.04 111.134 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -66.34 -55.05 17.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 63.42 110.894 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.587 ' HH2' HD13 ' A' ' 31' ' ' LEU . 6.8 m0 -46.59 -54.77 8.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 74.04 110.914 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -51.92 -37.46 52.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 63.35 110.899 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -55.36 -34.56 64.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 70.01 110.888 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.72 22.69 6.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.897 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 54.81 52.7 11.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.848 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.02 149.18 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 74.33 111.098 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.3 t -106.15 144.51 32.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 54.55 111.135 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -53.07 -41.99 65.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.1 110.92 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.77 -22.47 47.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.83 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -83.18 -65.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 71.03 110.915 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.888 HD13 HG21 ' A' ' 15' ' ' VAL . 45.4 mm -55.63 -48.54 77.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.13 111.167 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -52.87 -27.08 16.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.857 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 70.2 m -87.14 -29.04 22.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 64.01 111.133 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' A' ' 28' ' ' ALA . 12.2 t80 -78.31 -62.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 71.25 110.869 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.711 HD12 ' CG2' ' A' ' 55' ' ' ILE . 1.1 mt -53.57 -49.93 66.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 63.42 110.927 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -50.06 -56.33 11.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 75.54 110.918 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.783 HD11 ' HB3' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -54.47 -24.91 22.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 71.34 110.942 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.608 ' CB ' ' HB3' ' A' ' 28' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.35 111.093 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.526 -0.229 . . . . 74.34 112.526 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.9 -58.44 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 71.41 111.099 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -69.98 -10.75 59.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.922 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.504 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -65.19 -36.65 84.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.876 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -81.52 -13.44 58.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 72.14 110.856 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -68.52 -63.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 70.34 110.949 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -21.88 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 64.14 111.156 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.711 ' CE1' HG21 ' A' ' 55' ' ' ILE . 37.2 t80 -85.19 -22.5 28.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 73.41 110.923 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -50.0 -31.11 11.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 73.44 110.879 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.9 m -53.91 -31.47 50.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 51.34 110.822 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -86.44 -61.13 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 72.1 110.932 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 56.9 mtp -49.53 -32.17 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 55.23 110.86 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.6 ttt -74.68 -41.48 60.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 72.21 110.881 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -57.83 -55.35 36.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 71.54 110.87 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.13 -30.31 70.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.904 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.755 -0.736 . . . . 52.21 112.475 179.878 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.794 0.33 . . . . 72.51 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -113.05 26.22 10.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 42.43 110.875 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mmt -99.49 -42.3 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 42.05 110.872 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.566 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -136.87 -73.15 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 71.14 110.914 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 49.49 61.61 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 72.12 110.904 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 t -58.34 -26.72 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 74.55 111.142 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.28 -8.06 58.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.04 111.098 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.68 -24.67 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 61.31 111.071 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.973 HD22 HD13 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -92.7 131.48 37.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 54.52 110.906 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 42.8 p -143.12 121.89 12.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 70.12 111.161 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tptt 178.95 162.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 74.14 110.934 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -76.77 -67.84 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 73.42 110.879 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.95 -47.65 13.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 65.12 111.063 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -47.71 -33.8 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 74.22 110.859 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.716 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -75.14 -48.36 24.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 45.12 111.084 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.25 -39.0 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.911 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -62.8 -26.17 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 70.21 110.894 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.973 HD13 HD22 ' A' ' 18' ' ' LEU . 22.2 mt -82.17 -45.64 14.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 74.21 110.904 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . . . -70.26 -25.19 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 73.03 111.103 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -54.32 -58.98 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 61.44 110.939 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -66.65 -30.36 70.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.896 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.697 HD13 ' CH2' ' A' ' 45' ' ' TRP . 43.0 mt -71.61 -21.06 61.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 71.53 110.915 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.406 ' HE3' ' HB2' ' A' ' 32' ' ' MET . 54.9 mtm -93.92 -21.67 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 75.45 110.926 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.03 -57.09 1.04 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 52.23 112.478 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -65.76 114.78 5.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 60.22 110.871 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -78.06 -48.95 14.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 64.12 110.875 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -28.02 64.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 54.51 110.929 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.2 tp -85.74 -56.14 3.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 63.31 110.881 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -51.64 -30.09 20.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 61.43 111.11 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -56.76 -40.76 76.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.876 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.44 -18.31 32.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 72.55 111.098 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.471 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.8 -57.1 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 60.1 111.087 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.84 -29.23 26.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.964 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.66 -26.29 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 74.12 111.086 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -67.31 -53.88 25.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 70.25 110.923 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.697 ' CH2' HD13 ' A' ' 31' ' ' LEU . 8.6 m0 -47.3 -54.46 10.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 75.21 110.925 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.92 -36.24 48.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 73.34 110.911 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -56.53 -34.03 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 65.43 110.889 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.11 25.83 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 73.55 110.832 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 51.62 51.48 16.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.858 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -72.66 158.06 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 51.13 111.095 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.1 t -115.97 143.82 44.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 73.4 111.174 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -52.35 -45.71 65.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.14 110.865 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.633 ' O ' HG23 ' A' ' 57' ' ' THR . 83.2 m-20 -55.5 -25.56 37.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 54.31 110.854 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -83.03 -66.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.913 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.694 HD11 HG21 ' A' ' 50' ' ' VAL . 46.3 mm -53.81 -27.66 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 70.15 111.137 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.74 -56.62 9.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 63.1 110.85 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 53' ' ' ASP . 44.4 p -57.85 -20.12 33.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 64.14 111.142 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.696 ' HA ' HD23 ' A' ' 61' ' ' LEU . 10.7 t80 -86.26 -61.3 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 64.42 110.845 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.651 HD12 HG22 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -61.06 -47.51 86.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.928 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.0 -50.39 58.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 71.24 110.893 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.716 HD21 ' HB1' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -53.84 -25.01 17.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 62.11 110.916 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 70.11 111.099 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.476 -0.25 . . . . 60.31 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.31 -58.53 3.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 52.02 111.078 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -68.45 -14.75 63.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 73.33 110.877 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.506 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.05 -37.16 83.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 64.44 110.928 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -82.48 -13.91 55.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 60.1 110.875 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -63.23 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 63.1 110.904 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.403 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -70.59 -23.16 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.13 111.105 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.657 ' CE1' HG21 ' A' ' 55' ' ' ILE . 35.3 t80 -85.47 -22.41 28.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.931 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.41 -31.31 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 62.21 110.928 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 t -52.29 -30.5 28.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 64.01 110.838 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -86.43 -60.04 2.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.897 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 47.8 mtp -50.44 -31.21 14.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 72.44 110.895 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.2 tpt -77.8 -42.4 33.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.04 110.893 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -57.01 -62.59 1.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 72.22 110.873 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.32 -31.81 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.926 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.722 -0.751 . . . . 65.12 112.547 179.923 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.819 0.343 . . . . 73.1 110.9 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -113.94 22.57 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 53.24 110.905 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 21.0 mmt -100.0 -38.9 8.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 73.02 110.922 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -138.88 -66.93 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.836 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.73 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 5.4 p30 40.71 66.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.888 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.411 ' HA ' HD23 ' A' ' 18' ' ' LEU . 5.6 t -66.08 -29.19 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 73.33 111.134 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.97 -8.39 59.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 60.41 111.093 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.73 ' HB3' ' HB2' ' A' ' 14' ' ' ASN . . . -114.43 -13.14 12.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 65.35 111.092 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.566 HD22 HD13 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -102.85 138.54 39.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 71.42 110.936 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.2 p -142.75 121.72 12.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 71.32 111.133 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 177.6 155.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 63.41 110.906 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -76.23 -67.75 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 51.41 110.847 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.71 -46.74 15.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 71.12 111.113 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -48.78 -32.03 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 64.34 110.849 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.724 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -68.41 -53.96 20.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 65.21 111.068 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.628 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 0.5 OUTLIER -56.03 -29.53 60.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 52.32 110.865 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -59.01 -35.0 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.944 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.566 HD13 HD22 ' A' ' 18' ' ' LEU . 4.7 mt -87.14 -40.51 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.922 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 58' ' ' PHE . . . -65.61 -25.44 67.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 74.22 111.077 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -61.63 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.938 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -58.86 -32.02 69.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 71.32 110.9 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.663 HD13 ' CH2' ' A' ' 45' ' ' TRP . 54.9 mt -71.37 -25.15 62.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.948 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.0 mtm -97.38 2.86 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 64.55 110.834 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.19 -43.38 0.66 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 63.32 112.513 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -86.51 112.01 21.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.337 . . . . 70.4 110.915 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -72.1 -29.95 64.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 72.25 110.885 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -37.19 62.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 65.45 110.905 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.1 tp -77.69 -52.02 9.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 73.42 110.918 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -52.79 -34.47 53.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 65.31 111.073 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.35 -40.71 71.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.823 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.17 -18.2 32.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 75.01 111.116 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.48 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -79.79 -57.75 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 70.04 111.096 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -52.31 -28.94 21.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 72.24 110.92 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.57 -28.67 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 73.45 111.141 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -67.14 -49.94 63.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 65.24 110.923 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.663 ' CH2' HD13 ' A' ' 31' ' ' LEU . 9.1 m0 -49.37 -55.56 12.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 73.41 110.919 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.41 -33.6 54.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 72.42 110.895 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -57.17 -29.23 63.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 74.2 110.828 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -101.08 25.38 8.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 73.53 110.881 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 52.64 49.19 20.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.851 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.618 HG21 HD11 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -69.79 157.48 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 72.01 111.144 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.476 HG23 ' H ' ' A' ' 54' ' ' GLN . 8.9 t -115.51 143.7 44.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 75.12 111.147 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.66 -45.28 66.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 71.15 110.887 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -55.27 -25.45 33.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 64.44 110.876 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.476 ' H ' HG23 ' A' ' 51' ' ' THR . 1.7 tp60 -83.23 -66.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.946 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.675 HG21 ' CE1' ' A' ' 75' ' ' TYR . 45.1 mm -52.54 -41.99 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 62.45 111.106 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -55.67 -55.98 25.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 64.01 110.879 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 46.5 m -58.19 -19.79 36.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 62.23 111.163 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.676 ' HA ' HD23 ' A' ' 61' ' ' LEU . 10.1 t80 -85.98 -61.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.902 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.564 HD12 ' CG2' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -61.4 -47.25 86.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 71.32 110.862 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -51.05 -49.15 61.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 74.25 110.888 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.724 HD21 ' HB1' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -54.25 -24.97 20.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 72.13 110.91 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.628 ' HB2' ' HA ' ' A' ' 25' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 71.31 111.082 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.502 -0.239 . . . . 63.21 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.49 -58.34 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 30.33 111.073 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -68.82 -11.74 60.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.13 110.911 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.471 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -64.58 -34.42 78.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 71.24 110.888 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -82.62 -14.13 55.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 63.43 110.929 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -69.21 -63.24 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 72.4 110.887 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -21.91 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 74.22 111.156 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.675 ' CE1' HG21 ' A' ' 55' ' ' ILE . 40.0 t80 -85.71 -22.84 27.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 75.35 110.919 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -49.4 -32.19 11.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 70.54 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.5 m -53.18 -34.73 58.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 70.13 110.869 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -78.84 -59.74 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 71.15 110.897 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.5 mtm -50.6 -30.89 14.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 54.42 110.834 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.9 mmm -76.37 -51.19 12.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 65.34 110.845 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -52.21 -46.31 65.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 70.33 110.845 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -71.91 -32.74 67.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 73.4 110.917 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 72.23 112.467 179.916 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.826 0.346 . . . . 72.44 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.69 35.92 4.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 63.02 110.914 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.9 mmm -107.11 -38.33 6.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 71.43 110.826 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.542 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -142.97 -74.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 72.41 110.861 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 48.2 66.4 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 73.55 110.872 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.881 HG21 HD13 ' A' ' 55' ' ' ILE . 15.0 m -59.5 -18.9 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 53.42 111.119 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.23 -8.86 57.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 40.44 111.118 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.37 -23.14 7.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 73.42 111.069 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.851 HD22 HD13 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -91.47 134.78 34.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 74.12 110.913 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -142.32 122.12 13.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 71.12 111.181 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 178.85 154.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.24 110.868 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -76.43 -67.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 73.03 110.862 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.85 -47.46 13.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 63.32 111.099 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.64 -33.99 7.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 71.53 110.903 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.753 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -76.94 -40.93 45.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 34.41 111.11 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -28.57 69.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 72.22 110.845 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -78.73 -28.1 44.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 75.33 110.905 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.851 HD13 HD22 ' A' ' 18' ' ' LEU . 19.8 mt -70.08 -46.57 64.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 74.23 110.882 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.73 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . . . -73.98 -25.32 59.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 74.43 111.117 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -51.22 -54.57 24.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 62.42 110.879 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -69.14 -31.4 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.55 110.945 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.623 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 69.5 mt -68.49 -25.52 65.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 75.34 110.941 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.7 mtp -96.82 -17.83 19.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 55.32 110.883 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.89 -37.15 6.46 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 64.22 112.485 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -104.81 117.87 35.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 50.44 110.915 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -78.42 -22.89 47.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 71.32 110.859 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -43.45 78.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 65.51 110.922 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.2 tp -77.89 -46.24 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 64.22 110.957 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -54.62 -26.72 34.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 45.11 111.166 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.3 -42.99 96.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 60.34 110.859 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.59 -21.56 26.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 70.11 111.11 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.435 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -77.01 -56.43 4.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 60.12 111.144 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.47 -31.12 22.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.921 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.4 -27.97 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.54 111.157 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -62.08 -54.85 35.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 63.31 110.908 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.613 ' HH2' HD13 ' A' ' 31' ' ' LEU . 6.7 m0 -47.67 -53.84 13.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.944 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -53.36 -34.78 58.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 71.34 110.962 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -57.89 -33.14 68.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.863 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.71 25.42 5.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.13 110.866 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 51.87 54.86 10.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.86 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.93 147.76 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 71.15 111.154 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.5 t -105.0 144.8 31.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.35 111.155 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -53.02 -43.03 66.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.911 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -56.69 -22.46 35.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 71.34 110.88 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -83.53 -65.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 62.22 110.893 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.881 HD13 HG21 ' A' ' 15' ' ' VAL . 39.3 mm -56.02 -47.25 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 72.54 111.148 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -54.48 -25.44 25.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 74.41 110.842 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.7 m -87.48 -25.95 23.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 74.41 111.12 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.812 ' HA ' HD23 ' A' ' 61' ' ' LEU . 11.8 t80 -85.67 -63.84 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.75 HD12 ' CG2' ' A' ' 55' ' ' ILE . 1.2 mt -51.05 -51.07 56.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 71.32 110.909 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -51.44 -49.35 61.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 64.31 110.916 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.812 HD23 ' HA ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -54.85 -25.16 26.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 61.22 110.932 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.73 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 73.0 111.119 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.496 -0.242 . . . . 73.35 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.4 -58.67 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.81 0.338 . . . . 73.51 111.044 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -14.07 61.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 72.5 110.923 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.493 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -60.41 -35.18 75.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.896 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -81.87 -13.56 57.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 71.54 110.888 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -70.28 -63.31 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 42.45 110.927 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -22.1 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 72.41 111.116 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.705 ' CE1' HG21 ' A' ' 55' ' ' ILE . 34.8 t80 -85.27 -23.25 28.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 74.12 110.931 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -50.97 -30.87 16.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 72.21 110.864 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.2 m -54.73 -29.4 53.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.05 110.883 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -86.32 -60.89 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 75.54 110.905 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 56.1 mtm -50.84 -35.07 30.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 71.02 110.859 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.6 ttt -70.7 -41.98 71.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 70.21 110.85 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -22.88 61.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 65.25 110.875 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -83.99 -34.15 24.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.898 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 62.01 112.492 179.917 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.1 0 CA-C-O 120.822 0.259 . . . . 43.11 112.322 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -80.02 -26.23 39.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 74.03 110.876 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -58.36 151.1 20.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 72.43 110.879 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -123.93 102.37 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 75.41 110.934 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.6 mt -67.1 132.78 48.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 73.24 110.891 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -118.38 134.89 54.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 71.32 111.118 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.0 p -145.37 179.26 7.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 74.1 110.86 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.5 tp -124.22 101.01 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 64.02 110.876 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -120.45 89.66 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.87 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -103.41 13.83 32.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 65.04 110.863 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -113.84 27.12 9.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 73.41 110.899 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -100.58 -43.16 6.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 71.32 110.863 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -136.79 -72.85 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 71.34 110.912 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 50.06 61.82 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 62.12 110.859 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.9 t -58.33 -25.86 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 74.23 111.117 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.63 -8.25 59.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 72.1 111.101 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.46 -24.35 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 72.22 111.084 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.861 HD22 HD13 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -92.62 132.15 37.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 61.44 110.881 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.3 p -143.16 121.93 12.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 41.4 111.152 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 177.79 161.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 51.43 110.878 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.1 mmt-85 -75.93 -67.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 65.33 110.882 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.22 -45.82 17.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 73.54 111.105 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.23 -32.2 10.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 63.5 110.904 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.681 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -80.36 -47.57 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 61.22 111.065 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 2.5 ttmt -55.93 -36.28 67.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.52 110.921 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -67.44 -45.52 75.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 64.11 110.889 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.861 HD13 HD22 ' A' ' 18' ' ' LEU . 24.0 mt -63.22 -39.76 95.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 73.22 110.937 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.517 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . . . -71.77 -34.95 69.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 72.42 111.116 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -51.54 -61.57 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 74.14 110.881 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -60.51 -21.89 62.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 52.43 110.916 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.708 HD13 ' CH2' ' A' ' 45' ' ' TRP . 34.5 mt -86.04 -10.9 54.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 70.44 110.942 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.2 mtm -104.45 -21.76 13.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 64.24 110.89 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.83 -51.41 1.65 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.748 . . . . 72.1 112.467 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -73.65 111.38 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 64.4 110.867 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -72.9 -50.33 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 71.23 110.906 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -27.93 57.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 70.1 110.898 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.6 tp -85.39 -54.98 4.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.31 110.919 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -54.37 -27.7 38.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 64.23 111.097 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.52 -41.44 80.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 63.11 110.855 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.82 -17.71 32.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 54.53 111.086 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.517 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.98 -56.69 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 64.42 111.14 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -29.47 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 71.21 110.943 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.8 -26.96 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 74.11 111.138 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.6 t90 -64.52 -56.92 10.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 64.42 110.914 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.708 ' CH2' HD13 ' A' ' 31' ' ' LEU . 7.0 m0 -47.13 -55.75 7.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 64.14 110.884 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -51.13 -38.04 49.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 61.2 110.949 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -54.72 -33.17 60.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 52.03 110.836 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -96.53 25.75 4.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 41.14 110.879 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.74 50.62 18.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.821 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.635 HG21 HD11 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -70.95 157.77 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 73.21 111.141 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 t -111.99 143.64 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 63.14 111.169 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -53.74 -43.88 69.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 63.24 110.933 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.75 -24.33 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 61.01 110.891 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -83.14 -66.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.936 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.742 HG22 HD12 ' A' ' 59' ' ' LEU . 44.0 mm -54.34 -29.72 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.45 111.1 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.49 -57.2 8.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.857 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.5 m -58.37 -19.66 37.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 44.45 111.097 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.672 ' HA ' HD23 ' A' ' 61' ' ' LEU . 18.0 t80 -86.26 -59.69 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.1 110.86 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.742 HD12 HG22 ' A' ' 55' ' ' ILE . 0.8 OUTLIER -63.04 -47.66 82.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 70.13 110.941 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -50.76 -50.4 55.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.31 110.923 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.681 HD21 ' HB1' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -53.73 -25.49 18.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 64.13 110.917 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.517 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . -85.82 -29.51 23.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.44 111.11 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.6 p -99.31 -172.06 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 74.42 110.834 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -55.2 174.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 73.13 110.9 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -97.36 27.66 4.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 73.3 110.936 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.9 m -108.19 56.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 62.3 111.168 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 58.42 24.08 11.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.887 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 52.21 88.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 71.14 112.461 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.08 -58.37 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 74.15 111.105 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -69.94 -10.94 60.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.909 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.504 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -66.58 -36.44 82.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 74.03 110.909 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -82.58 -13.89 55.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 55.3 110.896 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -70.21 -63.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.915 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -70.73 -23.05 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 61.44 111.121 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.658 ' CE1' HG21 ' A' ' 55' ' ' ILE . 35.4 t80 -85.45 -22.45 28.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 65.41 110.901 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.46 -29.67 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 71.45 110.884 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.7 m -52.64 -32.34 41.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 64.24 110.878 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -86.61 -60.11 2.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 74.32 110.973 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 42.9 mtp -49.56 -31.37 10.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 74.43 110.866 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.9 tpp -76.62 -40.98 47.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.882 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -48.73 72.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.872 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.49 -33.48 64.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.04 110.922 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 70.27 37.48 71.27 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 61.45 112.524 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.9 pp -118.02 28.16 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 75.22 110.907 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.5 t -70.96 172.68 8.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 74.4 111.138 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 121.8 49.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.748 . . . . 71.15 112.529 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -96.32 -57.24 2.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 71.34 110.93 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.45 158.86 48.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.7 0.762 . . . . 44.44 110.878 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -42.15 3.65 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.657 2.238 . . . . 75.22 112.364 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -173.45 159.08 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.911 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.73 141.35 14.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 63.45 110.879 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.81 156.94 38.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 75.04 110.815 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t -174.65 -178.36 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 43.44 110.818 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.2 m -99.96 139.99 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 74.24 111.095 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.43 38.64 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 72.4 110.874 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -71.22 -43.19 67.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 71.55 110.899 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -51.73 -37.4 50.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 75.12 110.894 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.45 -43.29 97.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 61.33 111.113 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.48 139.22 57.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 52.11 111.065 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.86 174.05 7.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 74.52 111.147 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.35 25.87 8.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 73.15 110.914 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 73.3 110.867 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.748 0.228 . . . . 74.5 112.326 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 55.73 47.31 20.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 75.31 110.841 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -108.6 -43.46 4.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.906 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -64.36 167.23 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 72.44 110.872 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.573 ' H ' HD23 ' A' ' 5' ' ' LEU . 2.1 pt? -118.99 33.13 5.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 73.21 110.904 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -165.51 163.77 19.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 61.4 111.105 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.3 p -59.23 161.86 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 75.51 110.867 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -80.71 111.36 17.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.948 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -113.75 104.44 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 42.14 110.874 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -109.71 13.63 23.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 71.3 110.92 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -113.55 31.48 6.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 72.44 110.886 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 85.3 mmm -106.54 -41.74 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.882 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.593 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -137.43 -73.37 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.3 110.874 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 49.35 62.3 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 73.42 110.915 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 t -58.19 -26.88 30.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 74.33 111.138 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.08 -8.02 58.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 61.23 111.066 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.61 -24.74 7.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 52.32 111.115 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.002 HD22 HD13 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -93.02 130.18 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 74.35 110.917 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.3 p -143.75 121.66 12.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 73.52 111.115 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 8.1 tptp 178.84 162.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.88 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -76.66 -66.98 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 63.13 110.903 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.14 -48.0 13.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 51.24 111.091 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.44 -53.78 16.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 62.13 110.88 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 20' ' ' LYS . . . -67.06 -24.65 65.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 41.44 111.104 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -76.38 -27.94 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.879 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -79.45 -32.78 42.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 71.1 110.895 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.002 HD13 HD22 ' A' ' 18' ' ' LEU . 7.4 mt -67.0 -43.11 83.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 73.54 110.874 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.583 ' HB3' ' CB ' ' A' ' 62' ' ' ALA . . . -72.01 -25.6 61.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 71.1 111.098 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -55.51 -60.26 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 64.41 110.894 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -62.47 -29.99 70.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.888 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.678 HD13 ' CH2' ' A' ' 45' ' ' TRP . 38.6 mt -73.47 -23.27 60.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.891 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 78.6 mtp -91.38 -21.2 21.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 71.22 110.866 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.85 -53.05 1.33 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 42.35 112.459 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -71.7 114.67 10.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.855 0.36 . . . . 53.11 110.899 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.96 -49.05 14.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.874 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -28.11 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.899 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.2 tp -85.59 -51.67 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 75.31 110.921 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -55.39 -29.12 57.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 62.44 111.097 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.32 -41.3 79.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.836 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.86 -17.88 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 53.33 111.116 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.456 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -79.97 -57.39 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 61.33 111.093 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.48 -29.47 16.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 65.1 110.911 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.97 -29.92 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 74.35 111.137 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -61.16 -55.33 33.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 75.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.678 ' CH2' HD13 ' A' ' 31' ' ' LEU . 7.9 m0 -46.89 -52.74 13.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 72.42 110.903 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -50.83 -38.25 47.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 63.32 110.922 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -54.65 -33.68 61.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.855 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -95.44 25.2 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 54.43 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 51.39 43.57 29.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 70.45 110.844 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.472 HG21 HD11 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -61.71 153.23 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 52.3 111.12 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.1 t -109.02 143.59 38.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 64.43 111.127 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.7 -42.39 71.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 72.22 110.916 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -57.38 -22.95 46.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 72.45 110.919 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -66.27 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 63.44 110.904 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.673 HG21 ' CE1' ' A' ' 75' ' ' TYR . 46.6 mm -55.27 -29.05 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 74.11 111.117 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -71.01 -29.47 65.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 72.53 110.871 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.1 m -86.94 -19.73 28.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 72.11 111.129 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.778 ' HA ' HD23 ' A' ' 61' ' ' LEU . 15.6 t80 -86.47 -64.13 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 55.55 110.922 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.67 HD12 ' CG2' ' A' ' 55' ' ' ILE . 0.7 OUTLIER -53.98 -49.24 69.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.94 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -51.41 -50.39 59.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 61.54 110.957 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.778 HD23 ' HA ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -55.03 -24.61 25.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.952 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.583 ' CB ' ' HB3' ' A' ' 28' ' ' ALA . . . -82.2 -28.93 31.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 53.31 111.117 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -105.78 -170.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 65.24 110.901 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -58.9 163.81 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 73.21 110.875 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -89.58 49.11 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 74.03 110.917 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.3 m -120.19 51.35 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 72.14 111.1 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 60.47 19.72 9.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 74.13 110.912 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 51.87 81.88 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 43.12 112.488 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.27 -58.6 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 74.43 111.043 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -10.77 59.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 70.53 110.925 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.503 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -66.13 -34.5 78.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.926 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.53 -13.81 56.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.03 110.897 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -67.89 -63.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 73.21 110.875 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -20.64 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 73.25 111.133 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.673 ' CE1' HG21 ' A' ' 55' ' ' ILE . 45.0 t80 -85.22 -21.62 29.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 74.05 110.912 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -46.75 -34.61 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 75.25 110.914 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.1 m -52.11 -42.22 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 72.23 110.866 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -67.6 -60.79 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.894 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 33.6 mtp -52.4 -29.21 23.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 60.01 110.856 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -70.68 -38.19 73.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 54.42 110.863 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -73.33 -48.08 37.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 70.44 110.908 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.23 -32.74 73.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.15 110.927 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.23 29.84 63.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 40.05 112.472 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.402 HD12 ' C ' ' A' ' 84' ' ' LEU . 3.5 pp -115.54 25.92 10.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 75.35 110.885 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.7 t -55.54 170.1 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 75.15 111.109 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 131.0 36.38 0.35 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 62.13 112.488 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -114.82 164.67 13.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.839 0.352 . . . . 75.24 110.875 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 56.38 73.49 0.81 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.655 0.74 . . . . 65.05 110.878 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -174.62 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.272 . . . . 71.45 112.354 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -55.91 139.94 44.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 73.45 110.87 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 p -167.92 172.19 9.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 65.2 110.88 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.4 p -91.81 132.41 36.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 65.21 110.877 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.0 t -174.71 -177.26 1.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 60.15 110.836 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 22.2 m -103.12 152.51 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 73.52 111.14 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -125.11 -37.58 2.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 71.44 110.844 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -62.06 -46.23 90.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 71.12 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.6 mp -74.97 -31.65 61.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 74.1 110.889 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.19 -37.98 70.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 70.32 111.064 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.62 77.65 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 73.4 111.083 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.06 132.96 38.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 65.42 111.072 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.71 109.85 3.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.947 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 51.35 110.888 179.927 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.138 0 CA-C-O 120.78 0.242 . . . . 74.44 112.343 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 62.49 29.44 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 60.23 110.875 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -60.37 -29.63 69.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.04 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -68.06 150.87 47.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.885 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.593 HD23 ' N ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -110.76 -32.57 6.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 72.2 110.914 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.593 ' N ' HD23 ' A' ' 5' ' ' LEU . . . -67.67 -177.59 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 61.34 111.111 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.5 t -86.78 -75.04 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 64.3 110.877 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 8' ' ' LEU . 3.3 mm? -120.0 176.32 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.911 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -118.83 65.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 72.51 110.914 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -118.33 15.67 13.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 75.35 110.89 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -114.08 24.28 12.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 74.11 110.883 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 mmt -97.76 -42.52 7.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.861 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.551 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -136.31 -73.16 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 62.45 110.886 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 49.94 63.38 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 54.35 110.861 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 t -59.77 -27.03 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 74.14 111.112 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.05 -8.06 58.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 54.11 111.111 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.07 -24.27 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 75.15 111.115 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.974 HD22 HD13 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -93.14 131.75 37.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.95 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.0 p -143.42 121.93 12.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 65.44 111.171 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.0 OUTLIER 177.77 158.72 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 71.44 110.953 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -76.16 -60.74 2.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 64.22 110.891 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.53 -48.65 13.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.096 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.31 -56.72 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.2 110.871 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.71 ' CB ' HD21 ' A' ' 61' ' ' LEU . . . -60.69 -30.43 69.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 65.02 111.126 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -73.34 -28.26 61.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 74.34 110.879 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.65 -36.9 37.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 71.4 110.872 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.974 HD13 HD22 ' A' ' 18' ' ' LEU . 1.8 mt -65.91 -47.58 74.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 60.05 110.902 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB3' ' CB ' ' A' ' 62' ' ' ALA . . . -68.41 -25.44 65.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 71.33 111.096 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -54.0 -61.66 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.45 110.906 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -64.01 -32.8 74.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 64.31 110.912 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.651 HD13 ' CH2' ' A' ' 45' ' ' TRP . 51.8 mt -66.79 -26.17 66.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.912 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 58.5 mtm -94.12 3.2 55.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.899 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.42 -55.82 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 61.21 112.457 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -74.65 115.98 14.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 73.43 110.871 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -75.74 -39.31 57.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 51.41 110.856 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -34.22 75.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 61.43 110.89 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -84.72 -52.94 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 74.01 110.976 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -51.64 -35.3 41.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 74.21 111.135 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -56.44 -39.65 73.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 62.42 110.868 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.64 -18.76 30.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.34 111.092 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.448 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.89 -57.65 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 63.11 111.085 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.82 -29.08 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.942 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.74 -29.69 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 51.24 111.121 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -62.19 -55.35 29.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 74.53 110.921 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.651 ' CH2' HD13 ' A' ' 31' ' ' LEU . 8.3 m0 -47.17 -55.17 8.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 73.03 110.879 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -51.15 -41.23 59.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 73.21 110.952 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -31.93 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 63.43 110.845 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.42 24.98 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 72.54 110.878 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 51.39 54.18 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.828 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.675 HG21 HD11 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -76.84 157.74 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 61.03 111.144 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.8 t -114.67 143.97 44.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 70.12 111.123 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.11 -43.0 66.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 70.31 110.893 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.24 -24.15 58.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 71.4 110.907 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -65.97 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.937 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.68 HG21 ' CE1' ' A' ' 75' ' ' TYR . 44.6 mm -53.2 -39.17 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.127 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -57.04 -57.39 12.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 51.13 110.865 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.2 m -56.73 -20.55 22.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 63.43 111.124 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.673 ' HA ' HD23 ' A' ' 61' ' ' LEU . 15.9 t80 -85.92 -65.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 62.3 110.862 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.65 HD12 ' CG2' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -56.78 -48.07 78.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 65.44 110.906 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -50.56 -52.03 42.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 62.15 110.874 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.71 HD21 ' CB ' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -54.55 -25.46 26.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 74.23 110.889 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.584 ' CB ' ' HB3' ' A' ' 28' ' ' ALA . . . -84.63 -47.95 10.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.34 111.137 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.9 -74.48 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 75.33 110.851 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -168.98 -179.5 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 64.34 110.905 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.2 23.82 5.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 72.45 110.869 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.7 p -105.28 43.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 74.13 111.146 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 63.56 16.67 9.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.917 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 51.73 84.71 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.67 -0.776 . . . . 44.44 112.489 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.73 -58.73 5.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 55.33 111.058 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -70.54 -15.09 62.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 74.23 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.503 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -64.36 -31.72 73.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 73.32 110.936 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.7 -13.9 55.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 74.51 110.879 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -73.24 -63.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.884 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -24.02 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.32 111.1 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.68 ' CE1' HG21 ' A' ' 55' ' ' ILE . 39.1 t80 -85.45 -22.81 28.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.942 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -50.41 -30.67 12.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 72.3 110.862 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 m -54.49 -28.82 47.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 61.22 110.885 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -84.34 -57.88 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.873 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.3 mtt -50.12 -33.54 19.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 74.33 110.873 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.1 ptp -79.8 -34.48 39.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 73.12 110.876 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -53.65 -60.88 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 61.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.3 mp -78.64 -33.56 47.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 51.34 110.938 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.04 38.0 9.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 73.21 112.49 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.594 ' H ' HD23 ' A' ' 84' ' ' LEU . 1.6 pt? -108.34 25.2 11.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 75.03 110.93 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.0 t -62.12 167.07 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 72.54 111.169 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.92 37.75 0.25 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 75.3 112.491 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -112.83 156.51 22.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 72.13 110.92 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 62.81 160.58 0.12 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.625 0.726 . . . . 74.12 110.889 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 147.01 61.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 74.21 112.341 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -102.13 75.61 1.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 71.43 110.904 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.8 t -92.54 -51.77 4.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 52.25 110.856 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.7 t -157.88 170.26 22.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 70.34 110.827 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.3 m -161.15 -173.85 4.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 61.34 110.805 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.0 p -170.79 129.05 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 72.24 111.099 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -126.56 27.49 6.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 72.54 110.866 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -74.41 -32.7 62.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 65.42 110.876 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 98' ' ' ALA . 2.5 pp -85.03 -17.22 38.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 75.25 110.931 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.674 ' N ' HD12 ' A' ' 97' ' ' LEU . . . -53.43 -53.55 49.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 71.34 111.096 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.14 115.27 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.51 111.092 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.36 170.45 21.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 74.24 111.099 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -96.65 124.02 40.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 61.3 110.889 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 71.2 110.885 179.896 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.131 0 CA-C-O 120.783 0.243 . . . . 64.41 112.348 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.2 m120 59.04 43.76 17.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 74.14 110.913 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -81.18 101.3 9.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 55.51 110.924 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -138.67 166.77 23.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 72.03 110.886 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.401 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -142.07 164.3 30.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 40.14 110.893 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -134.37 149.98 50.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 60.4 111.086 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 p -172.73 179.54 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 63.41 110.838 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.488 ' O ' HD12 ' A' ' 8' ' ' LEU . 3.6 pp -110.22 26.74 10.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.51 . . . . 51.53 110.91 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -94.7 87.94 5.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 64.02 110.898 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -106.7 13.86 27.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 71.04 110.893 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -111.38 29.96 7.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 71.04 110.874 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mmt -106.27 -39.89 5.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.898 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.433 ' CE2' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -138.22 -70.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 75.33 110.894 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.434 ' CG ' ' HB3' ' A' ' 17' ' ' ALA . 10.7 t-20 47.26 61.22 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.34 110.882 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.584 ' HA ' HD23 ' A' ' 18' ' ' LEU . 10.0 t -58.09 -26.86 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 64.21 111.092 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.71 -7.73 58.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 70.13 111.042 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.434 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . . . -119.24 -14.8 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 65.32 111.127 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 19' ' ' THR . 0.3 OUTLIER -95.41 150.4 20.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 70.35 110.886 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.665 ' N ' HD12 ' A' ' 18' ' ' LEU . 31.8 p -141.61 -172.68 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 42.45 111.164 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.7 mttp 70.88 140.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 65.34 110.895 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.541 ' HA ' HD13 ' A' ' 61' ' ' LEU . 6.4 ttt-85 -74.44 -33.1 62.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.904 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.03 -60.41 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 72.14 111.091 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -58.67 -39.19 79.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.34 110.86 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.604 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -67.48 -51.94 45.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 71.22 111.087 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.84 -29.34 54.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 73.44 110.908 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -73.31 -30.47 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 74.15 110.88 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 mt -87.09 -30.38 21.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 74.42 110.902 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . . . -78.99 -25.13 43.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.33 111.121 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -21.84 64.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.865 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -103.02 -22.95 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 63.32 110.929 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.681 HD13 ' CH2' ' A' ' 45' ' ' TRP . 29.4 mt -80.99 -2.57 48.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 70.34 110.931 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 34.3 mtm -118.89 -32.47 4.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 65.33 110.9 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.51 -20.28 64.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.746 . . . . 72.02 112.495 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -116.41 112.99 22.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 63.14 110.893 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -78.57 -21.9 47.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 53.21 110.856 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -69.0 -42.13 76.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 71.34 110.876 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.3 tp -83.08 -47.36 11.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 64.54 110.947 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.83 -31.68 28.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 45.32 111.083 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.94 -41.58 83.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 52.24 110.87 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.18 -17.48 34.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 65.41 111.084 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.81 -57.68 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 70.12 111.116 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.422 ' CE2' HD12 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -52.31 -28.29 18.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 73.22 110.946 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.422 HD12 ' CE2' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -86.01 -30.33 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 72.14 111.178 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -63.76 -53.96 42.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 72.54 110.883 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.681 ' CH2' HD13 ' A' ' 31' ' ' LEU . 9.8 m0 -47.22 -54.98 9.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 72.41 110.879 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -51.2 -38.17 50.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 75.32 110.912 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -55.34 -32.54 62.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.855 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -96.93 25.78 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 72.24 110.894 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 51.71 55.01 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 75.22 110.855 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.59 HG21 HD11 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -77.35 152.11 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 70.32 111.168 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 t -108.27 145.41 34.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.42 111.129 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -54.93 -43.14 73.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 62.34 110.922 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.46 -23.12 47.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 72.42 110.822 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -83.18 -65.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 63.33 110.897 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.681 HG21 ' CE1' ' A' ' 75' ' ' TYR . 46.8 mm -54.91 -43.1 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 52.42 111.095 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -57.54 -28.45 63.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 75.42 110.841 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.7 m -86.76 -19.45 29.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 75.53 111.14 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.7 ' HA ' HD23 ' A' ' 61' ' ' LEU . 3.8 t80 -85.8 -45.48 11.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.2 110.873 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.626 HD13 ' HD1' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -74.0 -49.38 24.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.89 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -50.39 -48.49 55.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 64.24 110.92 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.7 HD23 ' HA ' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -51.58 -28.11 13.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 71.14 110.893 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . -83.54 -35.72 24.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 72.05 111.076 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.2 m -94.89 -171.76 2.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 54.54 110.932 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -58.01 -179.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 75.25 110.875 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -100.34 36.05 1.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.906 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.7 p -105.66 46.52 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 63.2 111.149 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 58.55 24.04 11.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 75.43 110.903 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 53.53 81.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.745 . . . . 45.25 112.504 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.32 -58.44 4.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 74.54 111.093 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -10.86 60.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 74.13 110.872 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.626 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -66.07 -34.93 79.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 72.13 110.879 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -80.86 -12.88 59.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 62.14 110.866 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.8 -63.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 72.22 110.906 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.37 -20.99 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 72.22 111.109 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.681 ' CE1' HG21 ' A' ' 55' ' ' ILE . 39.1 t80 -84.74 -22.52 29.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.12 110.929 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -50.52 -28.79 9.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 61.34 110.891 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -51.91 -30.67 25.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 72.43 110.85 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -86.94 -61.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.92 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.6 -31.34 10.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.889 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.7 tpt -76.69 -46.32 26.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 74.32 110.818 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -53.16 -63.01 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.879 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.88 -30.23 70.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 74.41 110.94 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 67.46 35.8 87.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 71.31 112.486 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 pp -111.23 30.36 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 74.32 110.903 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.3 t -77.09 179.21 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 53.41 111.149 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.2 -15.13 1.3 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 55.25 112.476 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -52.76 -62.24 1.77 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.906 0.384 . . . . 74.35 110.923 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -168.03 72.52 0.89 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.665 0.745 . . . . 74.31 110.857 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 166.68 26.74 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.24 . . . . 62.34 112.349 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -134.79 162.72 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 72.45 110.917 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.0 t -76.84 81.16 3.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 64.23 110.874 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.0 t -66.48 141.26 57.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.827 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.9 m -131.87 37.68 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 74.41 110.91 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.548 HG12 ' H ' ' A' ' 96' ' ' LYS . 29.8 t -128.98 136.92 58.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 74.24 111.129 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -125.32 35.82 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 73.25 110.885 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.548 ' H ' HG12 ' A' ' 94' ' ' VAL . 23.6 mtpp -80.0 -38.94 31.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 63.13 110.921 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.479 ' H ' HD23 ' A' ' 97' ' ' LEU . 1.5 pt? -58.45 -25.63 62.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.94 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.77 -37.28 84.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 44.23 111.093 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.97 50.19 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 73.51 111.095 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -104.48 154.01 20.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 71.01 111.083 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.5 tp -116.61 126.91 53.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 75.24 110.931 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.85 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.138 0 CA-C-O 120.771 0.238 . . . . 72.34 112.303 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 59.85 41.52 17.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 72.42 110.859 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -93.48 179.61 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 70.34 110.89 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -124.79 141.58 52.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 54.35 110.926 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 7' ' ' SER . 0.2 OUTLIER -110.0 -43.42 3.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 74.02 110.926 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.92 25.09 8.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 43.42 111.135 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.626 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -179.34 -177.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 72.51 110.834 -179.767 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.58 ' H ' HD23 ' A' ' 8' ' ' LEU . 1.6 pt? -115.66 155.88 26.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 74.03 110.921 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -153.2 107.33 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.864 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -118.42 9.38 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 74.33 110.922 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -109.75 24.66 12.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 70.43 110.881 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 21.5 mmt -97.5 -38.06 9.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 60.13 110.879 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -138.15 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 65.03 110.899 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.73 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 5.4 p30 40.7 66.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 64.31 110.887 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.425 HG13 ' HB2' ' A' ' 58' ' ' PHE . 7.1 t -65.53 -28.35 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 72.01 111.099 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.0 -8.36 59.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.11 111.11 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.73 ' HB3' ' HB2' ' A' ' 14' ' ' ASN . . . -114.74 -12.75 12.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 70.52 111.098 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.749 HD22 HD13 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -102.8 136.87 41.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 64.43 110.925 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.8 p -142.96 121.73 12.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 52.33 111.109 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.12 160.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 62.41 110.852 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -76.69 -67.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 73.23 110.838 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.89 -46.85 14.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 74.45 111.111 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.412 ' O ' HD12 ' A' ' 27' ' ' LEU . 1.1 t0 -48.4 -32.85 8.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 71.41 110.885 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.686 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -77.32 -40.04 45.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 61.42 111.142 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -37.38 87.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 62.14 110.907 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -62.54 -57.85 9.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 75.45 110.884 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.749 HD13 HD22 ' A' ' 18' ' ' LEU . 3.8 mt -51.84 -30.74 24.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.897 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 58' ' ' PHE . . . -79.29 -37.17 38.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.117 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.73 -60.13 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.884 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -53.87 -33.14 55.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 64.21 110.902 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.553 HD13 ' CH2' ' A' ' 45' ' ' TRP . 92.1 mt -74.41 -28.36 61.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.926 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.465 ' SD ' HD23 ' A' ' 59' ' ' LEU . 67.4 mtp -96.82 4.49 51.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.43 110.862 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.53 -21.94 4.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 24.44 112.469 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -124.74 118.55 26.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.328 . . . . 71.02 110.946 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -78.3 -23.3 47.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 64.34 110.861 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -67.02 -38.8 86.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 61.34 110.878 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.9 tp -85.32 -47.04 10.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 53.04 110.884 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -51.78 -32.6 31.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 64.01 111.095 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -56.41 -40.79 75.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.897 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.4 -18.13 32.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 65.44 111.148 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.486 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -79.88 -58.05 3.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 62.34 111.119 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -29.05 15.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 75.51 110.903 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.37 -32.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 73.42 111.111 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -62.04 -51.1 69.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 75.25 110.909 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.553 ' CH2' HD13 ' A' ' 31' ' ' LEU . 9.4 m0 -49.5 -51.86 33.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 73.32 110.903 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.04 -30.47 61.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 73.52 110.864 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -59.79 -25.48 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 73.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -107.5 25.82 11.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 72.24 110.896 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 51.75 51.53 16.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 63.33 110.856 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.615 HG21 HD11 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -70.49 147.34 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 52.45 111.184 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 t -104.65 143.59 32.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 72.22 111.147 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -53.0 -44.54 67.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 73.55 110.916 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -55.61 -24.91 35.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 63.02 110.896 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.39 -66.67 0.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.932 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.694 HG21 ' CE1' ' A' ' 75' ' ' TYR . 44.7 mm -52.32 -40.32 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.24 111.181 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -56.17 -56.27 22.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 55.1 110.854 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.4 m -57.9 -19.92 33.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 75.31 111.092 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.667 ' HA ' HD23 ' A' ' 61' ' ' LEU . 15.3 t80 -85.93 -62.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 61.42 110.902 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.629 HD12 ' CG2' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -59.7 -47.17 86.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 74.32 110.895 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -51.02 -51.0 57.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 63.43 110.909 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.686 HD21 ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -54.24 -25.25 22.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 64.05 110.912 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . -79.59 -51.01 9.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 74.12 111.063 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -70.7 170.91 11.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 55.23 110.831 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -121.89 57.09 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.914 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.617 ' HD2' ' HB2' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -146.49 170.15 17.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 73.03 110.871 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.27 123.41 26.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.185 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.95 19.43 11.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 71.02 110.949 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 53.78 90.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.698 -0.763 . . . . 73.14 112.548 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.617 ' HB2' ' HD2' ' A' ' 65' ' ' LYS . . . -65.32 -58.67 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 33.41 111.106 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -71.77 -9.88 58.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 62.45 110.898 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.472 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -68.5 -35.53 77.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 75.02 110.954 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -82.68 -13.88 55.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 70.21 110.89 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -67.98 -63.31 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.915 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -21.2 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.2 111.174 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.694 ' CE1' HG21 ' A' ' 55' ' ' ILE . 42.5 t80 -85.38 -22.41 28.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 74.35 110.92 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -50.36 -30.38 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.889 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 t -54.43 -28.91 47.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 65.21 110.876 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -86.47 -61.64 1.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.118 -0.492 . . . . 64.44 110.946 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 43.7 mtp -51.17 -30.47 16.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 75.11 110.899 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.9 ttt -75.5 -45.13 40.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 72.04 110.902 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -52.51 -58.07 7.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 75.03 110.871 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.501 ' HB3' HD23 ' A' ' 84' ' ' LEU . 8.5 mp -73.52 -31.53 63.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 70.31 110.896 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.04 30.12 55.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 75.1 112.511 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.508 ' O ' HD12 ' A' ' 84' ' ' LEU . 3.4 pp -100.49 26.75 6.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.917 0.389 . . . . 64.15 110.908 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.6 t -61.96 167.43 3.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 63.42 111.131 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.94 42.33 0.17 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 63.34 112.509 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -112.12 27.72 9.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.866 0.365 . . . . 60.43 110.89 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 51.65 69.36 2.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.643 0.735 . . . . 71.52 110.878 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 150.07 67.81 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 73.32 112.345 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -76.91 138.57 39.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.886 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 t -99.61 -28.21 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 65.11 110.877 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.6 t -59.67 120.64 9.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 73.14 110.88 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.3 m -151.34 174.89 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 63.31 110.817 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.436 HG21 HD12 ' A' ' 97' ' ' LEU . 24.2 m -135.1 147.22 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 43.13 111.118 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -115.31 -27.63 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 72.13 110.874 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -55.14 -37.85 67.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 63.05 110.871 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.436 HD12 HG21 ' A' ' 94' ' ' VAL . 9.2 mt -79.14 -52.95 7.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 72.3 110.919 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.9 -44.57 63.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 74.13 111.074 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 100' ' ' ALA . . . -81.28 -24.76 37.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 65.14 111.143 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 99' ' ' ALA . . . 66.87 11.47 8.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 52.51 111.092 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.13 111.83 8.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 74.14 110.918 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 75.32 110.881 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.138 0 CA-C-O 120.764 0.235 . . . . 74.31 112.335 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -118.17 41.82 2.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 73.31 110.837 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -115.31 28.16 8.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 72.13 110.894 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -139.93 129.09 23.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 65.24 110.889 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -96.73 -53.64 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 62.04 110.893 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.12 124.63 49.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 64.45 111.129 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -170.03 133.95 1.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 72.51 110.834 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.496 ' H ' HD23 ' A' ' 8' ' ' LEU . 2.2 pt? -135.91 133.45 37.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 74.2 110.933 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -124.98 94.95 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 72.1 110.87 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -114.32 14.22 17.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 75.44 110.953 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -115.61 29.71 7.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 71.25 110.899 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.9 mmt -101.44 -41.88 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 73.15 110.899 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.538 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -137.51 -73.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 64.34 110.903 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 48.29 66.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 54.23 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.928 HG21 HD13 ' A' ' 55' ' ' ILE . 16.8 m -59.53 -18.55 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 71.22 111.105 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.48 -8.78 57.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 62.11 111.099 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.04 -22.76 7.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 75.53 111.139 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -91.28 133.93 35.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 72.0 110.919 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.9 p -142.61 122.48 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 65.33 111.129 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.28 152.56 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 75.32 110.881 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -76.46 -67.7 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 63.32 110.842 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.77 -47.89 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 72.41 111.123 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -48.45 21.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 71.4 110.869 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.608 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -63.41 -42.55 98.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.3 111.103 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.51 -27.99 51.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 64.21 110.848 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -77.19 -49.84 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 73.41 110.884 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -51.25 -37.21 45.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 70.4 110.904 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.667 ' HB2' ' CZ ' ' A' ' 58' ' ' PHE . . . -79.16 -28.27 42.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.069 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -51.99 -60.8 2.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 65.14 110.93 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -61.4 -28.38 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 75.01 110.882 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.621 HD13 ' HH2' ' A' ' 45' ' ' TRP . 58.6 mt -75.68 -19.69 58.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 60.22 110.945 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.0 mtm -95.68 -22.66 17.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 62.55 110.849 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.2 -46.78 2.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 52.23 112.479 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -80.11 109.69 14.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 51.05 110.893 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -72.57 -51.14 21.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 62.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -29.26 31.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.937 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.5 tp -85.61 -49.07 8.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 65.03 110.888 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -57.51 -26.18 60.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 62.35 111.109 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.44 -40.38 90.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 70.42 110.869 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.78 -19.65 28.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.44 111.105 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.465 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.77 -56.44 4.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 61.23 111.061 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.46 -30.1 18.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 62.25 110.892 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.86 -29.27 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 63.03 111.18 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -59.7 -59.27 5.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.892 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.621 ' HH2' HD13 ' A' ' 31' ' ' LEU . 5.9 m-90 -46.28 -55.64 6.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.431 . . . . 72.52 110.867 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -50.81 -40.08 54.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.918 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -54.93 -32.79 61.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 75.52 110.901 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -95.47 25.06 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 75.31 110.879 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 51.71 51.81 15.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.876 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.2 151.8 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 75.41 111.152 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 t -105.99 143.91 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.188 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.3 -39.0 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 65.31 110.931 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -61.22 -21.44 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 64.42 110.891 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -83.27 -66.08 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 74.52 110.899 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.928 HD13 HG21 ' A' ' 15' ' ' VAL . 47.0 mm -54.51 -44.47 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 73.5 111.177 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -56.6 -23.66 42.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 73.0 110.901 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.8 m -87.08 -26.86 23.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 75.1 111.185 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.806 ' HA ' HD23 ' A' ' 61' ' ' LEU . 14.1 t80 -85.71 -64.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 71.33 110.854 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.747 HD12 ' CG2' ' A' ' 55' ' ' ILE . 2.3 mt -49.45 -51.65 34.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 64.42 110.969 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.69 -47.39 63.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 53.52 110.904 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.806 HD23 ' HA ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -54.44 -25.58 25.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 70.04 110.907 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.636 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . -77.53 -35.85 52.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 71.55 111.075 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -97.45 -171.19 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 75.14 110.875 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -61.14 -177.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 72.13 110.847 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -96.9 24.09 6.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 72.03 110.836 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -91.38 47.06 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.418 . . . . 74.13 111.175 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 59.48 21.45 9.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 64.54 110.956 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 53.01 84.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 43.42 112.505 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.54 -58.36 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.373 . . . . 73.34 111.114 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.58 -12.88 61.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 71.34 110.88 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.449 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -62.12 -35.5 78.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.901 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -81.85 -13.19 57.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 70.02 110.935 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -63.54 1.04 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 72.11 110.913 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -21.84 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 72.44 111.167 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.696 ' CE1' HG21 ' A' ' 55' ' ' ILE . 34.7 t80 -85.12 -22.27 28.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 73.54 110.924 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -49.96 -30.01 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 73.12 110.905 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.6 m -53.53 -31.89 48.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 44.12 110.876 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.482 ' CZ ' HD22 ' A' ' 82' ' ' LEU . 25.8 t80 -86.5 -60.62 1.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 74.43 110.969 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.6 mmm -49.84 -31.82 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 62.03 110.884 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.2 ttt -75.98 -44.54 39.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.13 110.876 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -61.29 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 72.21 110.861 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.482 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 8.9 mp -68.34 -30.56 69.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.882 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.34 24.39 74.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 75.11 112.473 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -89.37 9.45 26.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 72.02 110.938 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -58.89 170.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 74.11 111.108 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.26 33.28 0.73 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 72.54 112.477 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -96.81 -53.87 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 74.01 110.891 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -117.65 157.56 47.55 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.595 0.712 . . . . 74.34 110.927 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 137.03 34.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 73.23 112.345 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -103.77 178.12 4.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.35 110.907 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 p -142.37 125.97 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 54.34 110.849 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.3 m -83.74 165.03 19.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 72.15 110.827 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.2 p -170.74 179.84 3.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 34.3 110.839 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.0 m -135.16 145.44 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 74.01 111.133 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -131.55 29.62 4.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.89 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -31.63 71.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.13 110.873 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.401 ' H ' HD12 ' A' ' 97' ' ' LEU . 5.1 mp -80.76 -28.34 36.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 70.2 110.913 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.85 -34.46 69.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.55 111.094 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.0 142.97 26.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 73.41 111.05 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.523 ' C ' HD12 ' A' ' 101' ' ' LEU . . . -171.63 159.0 5.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 75.13 111.094 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.523 HD12 ' C ' ' A' ' 100' ' ' ALA . 5.4 mp -138.97 163.95 31.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 64.14 110.873 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 61.02 110.916 179.903 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 N--CA 1.465 -0.164 0 CA-C-O 120.8 0.25 . . . . 71.44 112.384 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 63.19 53.83 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 53.4 110.902 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -108.27 169.5 8.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 62.53 110.853 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.4 t30 59.08 31.69 21.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 73.43 110.911 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.6 mt -53.46 -31.64 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 71.54 110.893 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.72 25.05 14.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 70.45 111.088 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.71 172.34 1.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 72.34 110.837 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' H ' HD23 ' A' ' 8' ' ' LEU . 2.1 pt? -139.25 142.06 37.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 72.44 110.946 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -127.28 48.57 2.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.896 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -94.04 -6.21 45.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.874 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -107.38 21.32 17.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 64.53 110.883 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 85.9 mmm -84.95 -40.24 17.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.876 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.523 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -142.92 -73.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.846 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 48.15 66.04 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 73.32 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.888 HG21 HD13 ' A' ' 55' ' ' ILE . 13.9 m -59.4 -19.52 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 75.33 111.165 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.36 -8.92 58.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.12 111.14 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.52 -22.09 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 60.2 111.09 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.652 HD22 HD13 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -93.64 137.35 32.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 72.52 110.901 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.7 p -142.39 120.75 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 62.51 111.134 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 174.32 140.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 75.41 110.917 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -74.92 -44.76 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.839 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.76 -53.24 6.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 71.05 111.077 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -49.11 -55.49 12.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 71.35 110.886 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.783 ' HB3' HD11 ' A' ' 61' ' ' LEU . . . -52.29 -29.82 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 72.51 111.133 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -40.53 77.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.875 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -79.65 -30.49 41.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.903 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.652 HD13 HD22 ' A' ' 18' ' ' LEU . 33.6 mt -66.56 -53.54 33.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.907 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.673 ' HB2' ' CZ ' ' A' ' 58' ' ' PHE . . . -68.46 -25.03 64.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 73.55 111.032 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -50.93 -61.62 2.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 74.12 110.916 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -60.7 -26.63 67.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 73.12 110.891 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.611 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 77.6 mt -74.73 -26.17 59.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 71.4 110.91 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.8 mtp -94.77 4.99 53.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 65.12 110.898 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.02 -47.15 0.31 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 75.22 112.518 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -82.47 114.13 20.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 71.45 110.894 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -70.07 -48.87 56.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 74.25 110.917 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -24.19 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 50.51 110.892 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.2 tp -85.79 -56.07 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 63.12 110.929 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -55.21 -30.3 59.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 72.42 111.076 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.26 -40.72 86.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 61.04 110.907 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.76 -19.32 29.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 61.25 111.094 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.433 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.64 -56.07 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 73.01 111.101 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.79 -30.28 32.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.963 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.68 -25.05 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 70.04 111.134 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -66.34 -55.05 17.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 63.42 110.894 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.587 ' HH2' HD13 ' A' ' 31' ' ' LEU . 6.8 m0 -46.59 -54.77 8.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 74.04 110.914 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -51.92 -37.46 52.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 63.35 110.899 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -55.36 -34.56 64.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 70.01 110.888 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.72 22.69 6.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.897 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 54.81 52.7 11.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.848 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.02 149.18 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 74.33 111.098 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.3 t -106.15 144.51 32.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 54.55 111.135 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -53.07 -41.99 65.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.1 110.92 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.77 -22.47 47.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.83 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -83.18 -65.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 71.03 110.915 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.888 HD13 HG21 ' A' ' 15' ' ' VAL . 45.4 mm -55.63 -48.54 77.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.13 111.167 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -52.87 -27.08 16.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.857 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 70.2 m -87.14 -29.04 22.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 64.01 111.133 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' A' ' 28' ' ' ALA . 12.2 t80 -78.31 -62.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 71.25 110.869 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.711 HD12 ' CG2' ' A' ' 55' ' ' ILE . 1.1 mt -53.57 -49.93 66.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 63.42 110.927 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -50.06 -56.33 11.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 75.54 110.918 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.783 HD11 ' HB3' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -54.47 -24.91 22.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 71.34 110.942 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.608 ' CB ' ' HB3' ' A' ' 28' ' ' ALA . . . -85.58 -28.61 24.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.35 111.093 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.8 p -105.4 -170.35 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 73.34 110.846 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -52.19 167.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 73.42 110.828 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -97.48 28.67 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 64.12 110.868 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.7 p -104.74 58.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 61.24 111.158 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 58.31 21.97 8.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 74.13 110.924 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 51.8 80.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 74.34 112.526 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.9 -58.44 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 71.41 111.099 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -69.98 -10.75 59.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.922 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.504 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -65.19 -36.65 84.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.876 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -81.52 -13.44 58.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 72.14 110.856 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -68.52 -63.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 70.34 110.949 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -21.88 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 64.14 111.156 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.711 ' CE1' HG21 ' A' ' 55' ' ' ILE . 37.2 t80 -85.19 -22.5 28.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 73.41 110.923 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -50.0 -31.11 11.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 73.44 110.879 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.9 m -53.91 -31.47 50.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 51.34 110.822 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -86.44 -61.13 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 72.1 110.932 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 56.9 mtp -49.53 -32.17 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 55.23 110.86 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.6 ttt -74.68 -41.48 60.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 72.21 110.881 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -57.83 -55.35 36.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 71.54 110.87 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.13 -30.31 70.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.904 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.46 30.28 58.64 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.755 -0.736 . . . . 52.21 112.475 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 pp -113.49 26.47 10.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 73.21 110.933 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.7 t -66.59 173.55 3.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 73.54 111.127 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 120.72 24.2 2.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 64.41 112.479 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -85.12 -57.44 3.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.897 0.38 . . . . 71.03 110.931 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -136.6 70.08 59.71 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.587 0.708 . . . . 73.13 110.833 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 154.59 67.65 Favored 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.688 2.259 . . . . 75.51 112.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -168.9 134.19 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 70.43 110.892 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 m -86.93 123.68 32.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 60.02 110.836 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.2 t -156.64 119.84 4.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 45.33 110.832 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.3 p -165.65 160.14 17.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 64.23 110.827 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 22.1 m -116.15 123.87 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 62.33 111.151 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -115.71 -28.36 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.826 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -55.91 -53.17 60.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 75.13 110.887 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -51.81 -44.63 63.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 72.11 110.888 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.05 -45.19 89.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 44.22 111.143 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.35 120.02 18.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.32 111.069 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -143.77 -177.42 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 73.05 111.084 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.3 pp -105.5 168.26 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.911 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 72.35 110.905 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.149 0 CA-C-O 120.747 0.228 . . . . 73.01 112.367 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -102.85 33.16 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.891 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -85.07 134.84 34.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 65.32 110.924 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -78.25 145.56 35.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 64.41 110.884 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.5 mt -71.04 -54.46 11.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 73.13 110.916 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.21 128.18 35.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 45.41 111.111 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.7 m -129.75 174.36 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 62.34 110.891 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.43 ' O ' HD12 ' A' ' 8' ' ' LEU . 4.3 pp -129.66 22.18 5.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 72.41 110.929 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.19 88.64 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 73.14 110.91 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -108.44 10.21 27.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 72.51 110.85 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -113.05 26.22 10.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 42.43 110.875 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mmt -99.49 -42.3 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 42.05 110.872 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.566 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -136.87 -73.15 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 71.14 110.914 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 49.49 61.61 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 72.12 110.904 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 t -58.34 -26.72 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 74.55 111.142 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.28 -8.06 58.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.04 111.098 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.68 -24.67 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 61.31 111.071 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.973 HD22 HD13 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -92.7 131.48 37.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 54.52 110.906 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 42.8 p -143.12 121.89 12.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 70.12 111.161 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tptt 178.95 162.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 74.14 110.934 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -76.77 -67.84 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 73.42 110.879 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.95 -47.65 13.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 65.12 111.063 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -47.71 -33.8 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 74.22 110.859 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.716 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -75.14 -48.36 24.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 45.12 111.084 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.25 -39.0 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.911 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -62.8 -26.17 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 70.21 110.894 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.973 HD13 HD22 ' A' ' 18' ' ' LEU . 22.2 mt -82.17 -45.64 14.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 74.21 110.904 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . . . -70.26 -25.19 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 73.03 111.103 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -54.32 -58.98 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 61.44 110.939 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -66.65 -30.36 70.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.896 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.697 HD13 ' CH2' ' A' ' 45' ' ' TRP . 43.0 mt -71.61 -21.06 61.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 71.53 110.915 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.406 ' HE3' ' HB2' ' A' ' 32' ' ' MET . 54.9 mtm -93.92 -21.67 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 75.45 110.926 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.03 -57.09 1.04 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 52.23 112.478 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -65.76 114.78 5.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 60.22 110.871 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -78.06 -48.95 14.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 64.12 110.875 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -28.02 64.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 54.51 110.929 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.2 tp -85.74 -56.14 3.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 63.31 110.881 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -51.64 -30.09 20.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 61.43 111.11 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -56.76 -40.76 76.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.876 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.44 -18.31 32.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 72.55 111.098 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.471 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.8 -57.1 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 60.1 111.087 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.84 -29.23 26.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.964 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.66 -26.29 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 74.12 111.086 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -67.31 -53.88 25.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 70.25 110.923 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.697 ' CH2' HD13 ' A' ' 31' ' ' LEU . 8.6 m0 -47.3 -54.46 10.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 75.21 110.925 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.92 -36.24 48.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 73.34 110.911 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -56.53 -34.03 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 65.43 110.889 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.11 25.83 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 73.55 110.832 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 51.62 51.48 16.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.858 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -72.66 158.06 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 51.13 111.095 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.1 t -115.97 143.82 44.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 73.4 111.174 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -52.35 -45.71 65.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.14 110.865 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.633 ' O ' HG23 ' A' ' 57' ' ' THR . 83.2 m-20 -55.5 -25.56 37.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 54.31 110.854 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -83.03 -66.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.913 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.694 HD11 HG21 ' A' ' 50' ' ' VAL . 46.3 mm -53.81 -27.66 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 70.15 111.137 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.74 -56.62 9.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 63.1 110.85 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 53' ' ' ASP . 44.4 p -57.85 -20.12 33.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 64.14 111.142 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.696 ' HA ' HD23 ' A' ' 61' ' ' LEU . 10.7 t80 -86.26 -61.3 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 64.42 110.845 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.651 HD12 HG22 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -61.06 -47.51 86.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.928 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.0 -50.39 58.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 71.24 110.893 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.716 HD21 ' HB1' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -53.84 -25.01 17.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 62.11 110.916 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . -80.9 -32.64 34.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 70.11 111.099 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 m -97.86 -179.33 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.86 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -57.95 163.01 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 73.3 110.895 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -81.97 59.53 4.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 71.01 110.891 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.8 m -135.15 48.97 2.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 53.22 111.149 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 61.9 18.84 10.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 62.33 110.894 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 53.13 89.75 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 60.31 112.476 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 92' ' ' SER . . . -69.31 -58.53 3.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 52.02 111.078 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -68.45 -14.75 63.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 73.33 110.877 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.506 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.05 -37.16 83.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 64.44 110.928 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -82.48 -13.91 55.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 60.1 110.875 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -63.23 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 63.1 110.904 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.403 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -70.59 -23.16 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.13 111.105 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.657 ' CE1' HG21 ' A' ' 55' ' ' ILE . 35.3 t80 -85.47 -22.41 28.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.931 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.41 -31.31 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 62.21 110.928 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 t -52.29 -30.5 28.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 64.01 110.838 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -86.43 -60.04 2.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.897 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 47.8 mtp -50.44 -31.21 14.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 72.44 110.895 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.2 tpt -77.8 -42.4 33.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.04 110.893 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -57.01 -62.59 1.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 72.22 110.873 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.32 -31.81 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.926 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 67.43 36.07 88.23 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.722 -0.751 . . . . 65.12 112.547 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.17 26.6 10.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.943 0.401 . . . . 61.03 110.95 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.0 t -67.09 157.11 34.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 74.35 111.133 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 162.75 46.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 73.34 112.455 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -113.06 -169.86 1.57 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.837 0.351 . . . . 63.2 110.928 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -54.72 137.42 63.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.733 . . . . 71.21 110.928 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 129.56 17.86 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 65.34 112.368 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -119.37 166.75 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 71.31 110.909 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.7 t -129.38 90.24 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 71.13 110.884 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.472 ' HB2' ' HB1' ' A' ' 69' ' ' ALA . 2.3 t -161.8 157.69 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 74.01 110.87 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.5 p -179.39 -175.53 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 64.12 110.843 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.416 ' O ' HD22 ' A' ' 97' ' ' LEU . 5.4 p -164.85 132.91 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 52.05 111.138 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -116.06 -22.91 8.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 72.43 110.86 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -53.51 -28.02 28.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 75.22 110.875 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.416 HD22 ' O ' ' A' ' 94' ' ' VAL . 2.3 pt? -55.96 -25.16 42.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 71.13 110.932 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.22 -33.01 72.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 43.22 111.067 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 62.82 28.5 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 74.32 111.098 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.64 137.12 58.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.42 111.068 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.2 mt -111.42 96.14 5.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.895 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 64.41 110.93 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.466 -0.096 0 CA-C-O 120.806 0.253 . . . . 71.44 112.335 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -118.18 29.9 7.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 55.34 110.898 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -95.06 92.64 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 64.54 110.849 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -119.54 82.05 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.953 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.24 35.45 3.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.913 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -121.59 169.16 10.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 45.42 111.096 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 p -93.93 168.34 11.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 61.02 110.822 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 tt -115.96 92.87 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 55.12 110.941 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -87.39 98.97 11.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.21 110.936 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -118.53 18.31 13.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.1 110.9 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -113.94 22.57 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 53.24 110.905 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 21.0 mmt -100.0 -38.9 8.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 73.02 110.922 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -138.88 -66.93 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.836 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.73 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 5.4 p30 40.71 66.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.888 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.411 ' HA ' HD23 ' A' ' 18' ' ' LEU . 5.6 t -66.08 -29.19 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 73.33 111.134 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.97 -8.39 59.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 60.41 111.093 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.73 ' HB3' ' HB2' ' A' ' 14' ' ' ASN . . . -114.43 -13.14 12.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 65.35 111.092 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.566 HD22 HD13 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -102.85 138.54 39.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 71.42 110.936 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.2 p -142.75 121.72 12.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 71.32 111.133 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 177.6 155.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 63.41 110.906 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -76.23 -67.75 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 51.41 110.847 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.71 -46.74 15.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 71.12 111.113 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -48.78 -32.03 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 64.34 110.849 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.724 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -68.41 -53.96 20.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 65.21 111.068 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.628 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 0.5 OUTLIER -56.03 -29.53 60.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 52.32 110.865 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -59.01 -35.0 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.944 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.566 HD13 HD22 ' A' ' 18' ' ' LEU . 4.7 mt -87.14 -40.51 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.922 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 58' ' ' PHE . . . -65.61 -25.44 67.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 74.22 111.077 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -61.63 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.938 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -58.86 -32.02 69.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 71.32 110.9 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.663 HD13 ' CH2' ' A' ' 45' ' ' TRP . 54.9 mt -71.37 -25.15 62.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.948 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.0 mtm -97.38 2.86 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 64.55 110.834 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.19 -43.38 0.66 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 63.32 112.513 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -86.51 112.01 21.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.337 . . . . 70.4 110.915 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -72.1 -29.95 64.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 72.25 110.885 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -37.19 62.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 65.45 110.905 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.1 tp -77.69 -52.02 9.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 73.42 110.918 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -52.79 -34.47 53.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 65.31 111.073 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.35 -40.71 71.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.823 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.17 -18.2 32.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 75.01 111.116 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.48 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -79.79 -57.75 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 70.04 111.096 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -52.31 -28.94 21.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 72.24 110.92 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.57 -28.67 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 73.45 111.141 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -67.14 -49.94 63.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 65.24 110.923 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.663 ' CH2' HD13 ' A' ' 31' ' ' LEU . 9.1 m0 -49.37 -55.56 12.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 73.41 110.919 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.41 -33.6 54.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 72.42 110.895 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -57.17 -29.23 63.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 74.2 110.828 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -101.08 25.38 8.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 73.53 110.881 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 52.64 49.19 20.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.851 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.618 HG21 HD11 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -69.79 157.48 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 72.01 111.144 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.476 HG23 ' H ' ' A' ' 54' ' ' GLN . 8.9 t -115.51 143.7 44.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 75.12 111.147 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.66 -45.28 66.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 71.15 110.887 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -55.27 -25.45 33.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 64.44 110.876 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.476 ' H ' HG23 ' A' ' 51' ' ' THR . 1.7 tp60 -83.23 -66.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.946 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.675 HG21 ' CE1' ' A' ' 75' ' ' TYR . 45.1 mm -52.54 -41.99 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 62.45 111.106 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -55.67 -55.98 25.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 64.01 110.879 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 46.5 m -58.19 -19.79 36.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 62.23 111.163 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.676 ' HA ' HD23 ' A' ' 61' ' ' LEU . 10.1 t80 -85.98 -61.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.902 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.564 HD12 ' CG2' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -61.4 -47.25 86.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 71.32 110.862 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -51.05 -49.15 61.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 74.25 110.888 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.724 HD21 ' HB1' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -54.25 -24.97 20.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 72.13 110.91 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.628 ' HB2' ' HA ' ' A' ' 25' ' ' LYS . . . -96.98 -20.11 18.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 71.31 111.082 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 t -90.85 -169.28 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.809 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -92.45 -167.72 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 71.13 110.868 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.547 ' CG ' HG23 ' A' ' 66' ' ' THR . 4.7 pttt -60.77 -167.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 73.15 110.908 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.547 HG23 ' CG ' ' A' ' 65' ' ' LYS . 1.5 p 59.6 28.41 17.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 65.4 111.128 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 58.79 48.48 11.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 60.03 110.93 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.19 97.25 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 63.21 112.502 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.49 -58.34 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 30.33 111.073 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -68.82 -11.74 60.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.13 110.911 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.471 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -64.58 -34.42 78.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 71.24 110.888 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -82.62 -14.13 55.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 63.43 110.929 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -69.21 -63.24 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 72.4 110.887 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -21.91 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 74.22 111.156 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.675 ' CE1' HG21 ' A' ' 55' ' ' ILE . 40.0 t80 -85.71 -22.84 27.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 75.35 110.919 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -49.4 -32.19 11.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 70.54 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.5 m -53.18 -34.73 58.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 70.13 110.869 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -78.84 -59.74 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 71.15 110.897 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.5 mtm -50.6 -30.89 14.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 54.42 110.834 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.9 mmm -76.37 -51.19 12.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 65.34 110.845 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -52.21 -46.31 65.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 70.33 110.845 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -71.91 -32.74 67.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 73.4 110.917 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.96 34.26 34.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 72.23 112.467 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.0 pp -123.91 27.77 7.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.885 0.374 . . . . 74.25 110.869 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.9 t -65.88 167.57 9.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 73.41 111.16 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.24 39.39 0.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 64.02 112.509 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -96.66 38.19 1.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 74.32 110.947 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 59.3 84.31 0.2 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.645 0.736 . . . . 74.44 110.883 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 172.53 12.45 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.655 2.237 . . . . 53.53 112.401 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -91.29 163.0 14.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 73.52 110.863 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.6 p -112.51 -32.23 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 62.24 110.841 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.6 t -62.11 153.7 29.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 72.01 110.851 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.4 p -162.45 179.08 8.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 72.33 110.858 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.404 ' HB ' HD13 ' A' ' 97' ' ' LEU . 35.7 m -135.23 133.44 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 65.32 111.171 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -112.23 -35.97 5.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 61.23 110.85 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.479 ' HG3' HD12 ' A' ' 97' ' ' LEU . 10.2 ptpp? -57.6 -36.34 71.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 73.53 110.907 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.479 HD12 ' HG3' ' A' ' 96' ' ' LYS . 3.9 mp -66.67 -38.85 87.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 35.34 110.899 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.17 -35.08 47.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.5 111.048 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.61 169.74 14.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 41.54 111.066 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -134.76 143.3 47.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.1 111.104 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.9 mt 59.03 53.35 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 75.31 110.923 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 64.41 110.864 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.117 0 CA-C-O 120.774 0.239 . . . . 62.14 112.343 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.2 m120 55.64 44.35 26.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 75.34 110.882 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -79.98 66.89 5.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 63.2 110.88 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -142.52 137.13 29.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 63.53 110.885 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mp -88.02 77.79 8.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 71.1 110.939 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -166.91 126.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 51.1 111.087 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.6 m -117.67 -174.99 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 55.11 110.89 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.604 ' H ' HD23 ' A' ' 8' ' ' LEU . 1.8 pt? -111.59 28.36 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 74.4 110.934 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -90.36 47.13 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 70.22 110.854 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -102.63 6.52 39.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 72.44 110.901 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.69 35.92 4.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 63.02 110.914 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.9 mmm -107.11 -38.33 6.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 71.43 110.826 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.542 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -142.97 -74.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 72.41 110.861 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 48.2 66.4 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 73.55 110.872 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.881 HG21 HD13 ' A' ' 55' ' ' ILE . 15.0 m -59.5 -18.9 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 53.42 111.119 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.23 -8.86 57.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 40.44 111.118 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.37 -23.14 7.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 73.42 111.069 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.851 HD22 HD13 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -91.47 134.78 34.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 74.12 110.913 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -142.32 122.12 13.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 71.12 111.181 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 178.85 154.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.24 110.868 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -76.43 -67.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 73.03 110.862 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.85 -47.46 13.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 63.32 111.099 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.64 -33.99 7.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 71.53 110.903 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.753 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -76.94 -40.93 45.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 34.41 111.11 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -28.57 69.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 72.22 110.845 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -78.73 -28.1 44.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 75.33 110.905 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.851 HD13 HD22 ' A' ' 18' ' ' LEU . 19.8 mt -70.08 -46.57 64.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 74.23 110.882 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.73 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . . . -73.98 -25.32 59.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 74.43 111.117 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -51.22 -54.57 24.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 62.42 110.879 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -69.14 -31.4 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.55 110.945 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.623 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 69.5 mt -68.49 -25.52 65.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 75.34 110.941 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.7 mtp -96.82 -17.83 19.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 55.32 110.883 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.89 -37.15 6.46 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 64.22 112.485 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -104.81 117.87 35.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 50.44 110.915 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -78.42 -22.89 47.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 71.32 110.859 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -43.45 78.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 65.51 110.922 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.2 tp -77.89 -46.24 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 64.22 110.957 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -54.62 -26.72 34.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 45.11 111.166 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.3 -42.99 96.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 60.34 110.859 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.59 -21.56 26.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 70.11 111.11 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.435 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -77.01 -56.43 4.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 60.12 111.144 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.47 -31.12 22.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.921 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.4 -27.97 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.54 111.157 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -62.08 -54.85 35.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 63.31 110.908 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.613 ' HH2' HD13 ' A' ' 31' ' ' LEU . 6.7 m0 -47.67 -53.84 13.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.944 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -53.36 -34.78 58.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 71.34 110.962 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -57.89 -33.14 68.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.863 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.71 25.42 5.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.13 110.866 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 51.87 54.86 10.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.86 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.93 147.76 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 71.15 111.154 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.5 t -105.0 144.8 31.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.35 111.155 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -53.02 -43.03 66.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.911 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -56.69 -22.46 35.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 71.34 110.88 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -83.53 -65.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 62.22 110.893 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.881 HD13 HG21 ' A' ' 15' ' ' VAL . 39.3 mm -56.02 -47.25 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 72.54 111.148 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -54.48 -25.44 25.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 74.41 110.842 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.7 m -87.48 -25.95 23.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 74.41 111.12 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.812 ' HA ' HD23 ' A' ' 61' ' ' LEU . 11.8 t80 -85.67 -63.84 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.75 HD12 ' CG2' ' A' ' 55' ' ' ILE . 1.2 mt -51.05 -51.07 56.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 71.32 110.909 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -51.44 -49.35 61.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 64.31 110.916 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.812 HD23 ' HA ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -54.85 -25.16 26.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 61.22 110.932 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.73 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . -71.97 -29.5 64.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 73.0 111.119 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.0 t -99.05 -62.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.881 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 59.05 64.81 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 74.43 110.862 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -138.59 -67.08 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 74.03 110.906 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -135.65 69.19 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 73.43 111.151 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 52.4 29.46 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 61.31 110.932 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.04 80.65 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 73.35 112.496 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.4 -58.67 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.81 0.338 . . . . 73.51 111.044 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -14.07 61.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 72.5 110.923 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.493 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -60.41 -35.18 75.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.896 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -81.87 -13.56 57.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 71.54 110.888 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -70.28 -63.31 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 42.45 110.927 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -22.1 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 72.41 111.116 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.705 ' CE1' HG21 ' A' ' 55' ' ' ILE . 34.8 t80 -85.27 -23.25 28.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 74.12 110.931 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -50.97 -30.87 16.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 72.21 110.864 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.2 m -54.73 -29.4 53.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.05 110.883 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -86.32 -60.89 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 75.54 110.905 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.659 ' CB ' HG23 ' A' ' 85' ' ' THR . 56.1 mtm -50.84 -35.07 30.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 71.02 110.859 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.6 ttt -70.7 -41.98 71.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 70.21 110.85 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -22.88 61.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 65.25 110.875 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.685 ' HB3' HD22 ' A' ' 84' ' ' LEU . 3.5 mm? -83.99 -34.15 24.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.898 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.61 38.96 11.22 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 62.01 112.492 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.685 HD22 ' HB3' ' A' ' 82' ' ' LEU . 1.2 pt? -138.92 8.96 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 72.02 110.947 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.659 HG23 ' CB ' ' A' ' 79' ' ' MET . 0.2 OUTLIER -58.75 162.48 3.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 64.42 111.148 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 124.61 31.25 0.91 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 62.22 112.475 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -78.41 -63.78 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 75.3 110.905 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -148.17 72.56 11.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 73.24 110.928 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 145.42 57.29 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 73.45 112.354 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -123.7 171.96 9.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 73.13 110.894 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.3 p -75.25 106.61 6.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 63.05 110.881 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.8 t -135.25 138.21 43.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 73.44 110.871 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.7 m -156.95 162.93 39.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 71.53 110.865 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.6 m -145.82 149.19 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 64.44 111.143 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -128.83 26.34 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 72.14 110.898 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -82.91 -45.4 14.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 63.1 110.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.3 mt -51.99 -30.66 26.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 53.32 110.913 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.4 -44.1 96.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 54.23 111.098 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -110.59 75.6 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 72.43 111.068 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -132.74 155.42 48.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 23.34 111.044 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.3 tp -110.29 138.7 46.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 63.12 110.945 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 71.21 110.891 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.789 0.328 . . . . 65.04 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -113.84 27.12 9.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 73.41 110.899 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -100.58 -43.16 6.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 71.32 110.863 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -136.79 -72.85 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 71.34 110.912 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.06 61.82 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 62.12 110.859 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.9 t -58.33 -25.86 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 74.23 111.117 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.63 -8.25 59.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 72.1 111.101 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.46 -24.35 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 72.22 111.084 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.861 HD22 HD13 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -92.62 132.15 37.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 61.44 110.881 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.3 p -143.16 121.93 12.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 41.4 111.152 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 177.79 161.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 51.43 110.878 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.1 mmt-85 -75.93 -67.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 65.33 110.882 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.22 -45.82 17.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 73.54 111.105 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.23 -32.2 10.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 63.5 110.904 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.681 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -80.36 -47.57 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 61.22 111.065 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 2.5 ttmt -55.93 -36.28 67.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.52 110.921 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -67.44 -45.52 75.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 64.11 110.889 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.861 HD13 HD22 ' A' ' 18' ' ' LEU . 24.0 mt -63.22 -39.76 95.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 73.22 110.937 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.517 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . . . -71.77 -34.95 69.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 72.42 111.116 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -51.54 -61.57 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 74.14 110.881 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -60.51 -21.89 62.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 52.43 110.916 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.708 HD13 ' CH2' ' A' ' 45' ' ' TRP . 34.5 mt -86.04 -10.9 54.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 70.44 110.942 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.2 mtm -104.45 -21.76 13.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 64.24 110.89 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.83 -51.41 1.65 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.748 . . . . 72.1 112.467 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -73.65 111.38 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 64.4 110.867 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -72.9 -50.33 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 71.23 110.906 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -27.93 57.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 70.1 110.898 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.6 tp -85.39 -54.98 4.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.31 110.919 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -54.37 -27.7 38.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 64.23 111.097 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.52 -41.44 80.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 63.11 110.855 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.82 -17.71 32.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 54.53 111.086 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.517 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.98 -56.69 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 64.42 111.14 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -29.47 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 71.21 110.943 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.8 -26.96 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 74.11 111.138 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.6 t90 -64.52 -56.92 10.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 64.42 110.914 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.708 ' CH2' HD13 ' A' ' 31' ' ' LEU . 7.0 m0 -47.13 -55.75 7.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 64.14 110.884 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -51.13 -38.04 49.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 61.2 110.949 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -54.72 -33.17 60.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 52.03 110.836 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -96.53 25.75 4.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 41.14 110.879 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.74 50.62 18.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.821 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.635 HG21 HD11 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -70.95 157.77 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 73.21 111.141 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 t -111.99 143.64 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 63.14 111.169 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -53.74 -43.88 69.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 63.24 110.933 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.75 -24.33 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 61.01 110.891 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -83.14 -66.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.936 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.742 HG22 HD12 ' A' ' 59' ' ' LEU . 44.0 mm -54.34 -29.72 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.45 111.1 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.49 -57.2 8.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.857 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.5 m -58.37 -19.66 37.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 44.45 111.097 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.672 ' HA ' HD23 ' A' ' 61' ' ' LEU . 18.0 t80 -86.26 -59.69 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.1 110.86 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.742 HD12 HG22 ' A' ' 55' ' ' ILE . 0.8 OUTLIER -63.04 -47.66 82.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 70.13 110.941 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -50.76 -50.4 55.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.31 110.923 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.681 HD21 ' HB1' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -53.73 -25.49 18.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 64.13 110.917 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.517 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.44 111.11 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.461 -0.256 . . . . 71.14 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.08 -58.37 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 74.15 111.105 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -69.94 -10.94 60.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.909 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.504 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -66.58 -36.44 82.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 74.03 110.909 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -82.58 -13.89 55.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 55.3 110.896 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -70.21 -63.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.915 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -70.73 -23.05 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 61.44 111.121 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.658 ' CE1' HG21 ' A' ' 55' ' ' ILE . 35.4 t80 -85.45 -22.45 28.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 65.41 110.901 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.46 -29.67 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 71.45 110.884 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.7 m -52.64 -32.34 41.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 64.24 110.878 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -86.61 -60.11 2.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 74.32 110.973 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 42.9 mtp -49.56 -31.37 10.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 74.43 110.866 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.9 tpp -76.62 -40.98 47.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.882 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -48.73 72.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.872 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.49 -33.48 64.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.04 110.922 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 61.45 112.524 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.844 0.354 . . . . 71.3 110.92 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -113.55 31.48 6.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 72.44 110.886 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 85.3 mmm -106.54 -41.74 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.882 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.593 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -137.43 -73.37 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.3 110.874 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.35 62.3 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 73.42 110.915 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 t -58.19 -26.88 30.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 74.33 111.138 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.08 -8.02 58.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 61.23 111.066 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.61 -24.74 7.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 52.32 111.115 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.002 HD22 HD13 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -93.02 130.18 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 74.35 110.917 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.3 p -143.75 121.66 12.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 73.52 111.115 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 8.1 tptp 178.84 162.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.88 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -76.66 -66.98 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 63.13 110.903 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.14 -48.0 13.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 51.24 111.091 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.44 -53.78 16.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 62.13 110.88 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 20' ' ' LYS . . . -67.06 -24.65 65.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 41.44 111.104 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -76.38 -27.94 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.879 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -79.45 -32.78 42.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 71.1 110.895 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.002 HD13 HD22 ' A' ' 18' ' ' LEU . 7.4 mt -67.0 -43.11 83.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 73.54 110.874 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.583 ' HB3' ' CB ' ' A' ' 62' ' ' ALA . . . -72.01 -25.6 61.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 71.1 111.098 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -55.51 -60.26 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 64.41 110.894 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -62.47 -29.99 70.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.888 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.678 HD13 ' CH2' ' A' ' 45' ' ' TRP . 38.6 mt -73.47 -23.27 60.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.891 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 78.6 mtp -91.38 -21.2 21.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 71.22 110.866 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.85 -53.05 1.33 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 42.35 112.459 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -71.7 114.67 10.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.855 0.36 . . . . 53.11 110.899 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.96 -49.05 14.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.874 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -28.11 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.899 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.2 tp -85.59 -51.67 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 75.31 110.921 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -55.39 -29.12 57.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 62.44 111.097 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.32 -41.3 79.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.836 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.86 -17.88 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 53.33 111.116 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.456 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -79.97 -57.39 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 61.33 111.093 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.48 -29.47 16.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 65.1 110.911 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.97 -29.92 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 74.35 111.137 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -61.16 -55.33 33.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 75.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.678 ' CH2' HD13 ' A' ' 31' ' ' LEU . 7.9 m0 -46.89 -52.74 13.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 72.42 110.903 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -50.83 -38.25 47.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 63.32 110.922 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -54.65 -33.68 61.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.855 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -95.44 25.2 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 54.43 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 51.39 43.57 29.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 70.45 110.844 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.472 HG21 HD11 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -61.71 153.23 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 52.3 111.12 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.1 t -109.02 143.59 38.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 64.43 111.127 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.7 -42.39 71.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 72.22 110.916 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -57.38 -22.95 46.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 72.45 110.919 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -66.27 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 63.44 110.904 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.673 HG21 ' CE1' ' A' ' 75' ' ' TYR . 46.6 mm -55.27 -29.05 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 74.11 111.117 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -71.01 -29.47 65.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 72.53 110.871 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.1 m -86.94 -19.73 28.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 72.11 111.129 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.778 ' HA ' HD23 ' A' ' 61' ' ' LEU . 15.6 t80 -86.47 -64.13 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 55.55 110.922 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.67 HD12 ' CG2' ' A' ' 55' ' ' ILE . 0.7 OUTLIER -53.98 -49.24 69.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.94 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -51.41 -50.39 59.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 61.54 110.957 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.778 HD23 ' HA ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -55.03 -24.61 25.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.952 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.583 ' CB ' ' HB3' ' A' ' 28' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 53.31 111.117 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.488 -0.245 . . . . 43.12 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.27 -58.6 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 74.43 111.043 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -10.77 59.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 70.53 110.925 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.503 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -66.13 -34.5 78.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.926 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.53 -13.81 56.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.03 110.897 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -67.89 -63.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 73.21 110.875 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -20.64 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 73.25 111.133 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.673 ' CE1' HG21 ' A' ' 55' ' ' ILE . 45.0 t80 -85.22 -21.62 29.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 74.05 110.912 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -46.75 -34.61 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 75.25 110.914 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.1 m -52.11 -42.22 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 72.23 110.866 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -67.6 -60.79 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.894 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 33.6 mtp -52.4 -29.21 23.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 60.01 110.856 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -70.68 -38.19 73.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 54.42 110.863 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -73.33 -48.08 37.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 70.44 110.908 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.23 -32.74 73.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.15 110.927 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 40.05 112.472 179.845 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.868 0.366 . . . . 75.35 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -114.08 24.28 12.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 74.11 110.883 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 mmt -97.76 -42.52 7.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.861 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.551 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -136.31 -73.16 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 62.45 110.886 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 49.94 63.38 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 54.35 110.861 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 t -59.77 -27.03 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 74.14 111.112 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.05 -8.06 58.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 54.11 111.111 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.07 -24.27 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 75.15 111.115 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.974 HD22 HD13 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -93.14 131.75 37.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.95 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.0 p -143.42 121.93 12.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 65.44 111.171 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.0 OUTLIER 177.77 158.72 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 71.44 110.953 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -76.16 -60.74 2.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 64.22 110.891 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.53 -48.65 13.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.096 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.31 -56.72 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.2 110.871 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.71 ' CB ' HD21 ' A' ' 61' ' ' LEU . . . -60.69 -30.43 69.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 65.02 111.126 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -73.34 -28.26 61.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 74.34 110.879 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.65 -36.9 37.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 71.4 110.872 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.974 HD13 HD22 ' A' ' 18' ' ' LEU . 1.8 mt -65.91 -47.58 74.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 60.05 110.902 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB3' ' CB ' ' A' ' 62' ' ' ALA . . . -68.41 -25.44 65.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 71.33 111.096 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -54.0 -61.66 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.45 110.906 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -64.01 -32.8 74.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 64.31 110.912 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.651 HD13 ' CH2' ' A' ' 45' ' ' TRP . 51.8 mt -66.79 -26.17 66.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.912 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 58.5 mtm -94.12 3.2 55.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.899 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.42 -55.82 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 61.21 112.457 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -74.65 115.98 14.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 73.43 110.871 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -75.74 -39.31 57.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 51.41 110.856 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -34.22 75.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 61.43 110.89 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -84.72 -52.94 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 74.01 110.976 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -51.64 -35.3 41.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 74.21 111.135 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -56.44 -39.65 73.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 62.42 110.868 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.64 -18.76 30.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.34 111.092 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.448 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.89 -57.65 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 63.11 111.085 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.82 -29.08 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.942 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.74 -29.69 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 51.24 111.121 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -62.19 -55.35 29.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 74.53 110.921 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.651 ' CH2' HD13 ' A' ' 31' ' ' LEU . 8.3 m0 -47.17 -55.17 8.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 73.03 110.879 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -51.15 -41.23 59.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 73.21 110.952 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -31.93 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 63.43 110.845 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.42 24.98 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 72.54 110.878 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 51.39 54.18 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.828 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.675 HG21 HD11 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -76.84 157.74 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 61.03 111.144 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.8 t -114.67 143.97 44.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 70.12 111.123 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.11 -43.0 66.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 70.31 110.893 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.24 -24.15 58.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 71.4 110.907 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -65.97 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.937 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.68 HG21 ' CE1' ' A' ' 75' ' ' TYR . 44.6 mm -53.2 -39.17 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.127 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -57.04 -57.39 12.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 51.13 110.865 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.2 m -56.73 -20.55 22.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 63.43 111.124 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.673 ' HA ' HD23 ' A' ' 61' ' ' LEU . 15.9 t80 -85.92 -65.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 62.3 110.862 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.65 HD12 ' CG2' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -56.78 -48.07 78.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 65.44 110.906 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -50.56 -52.03 42.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 62.15 110.874 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.71 HD21 ' CB ' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -54.55 -25.46 26.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 74.23 110.889 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.584 ' CB ' ' HB3' ' A' ' 28' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.34 111.137 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.489 -0.245 . . . . 44.44 112.489 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.73 -58.73 5.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 55.33 111.058 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -70.54 -15.09 62.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 74.23 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.503 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -64.36 -31.72 73.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 73.32 110.936 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.7 -13.9 55.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 74.51 110.879 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -73.24 -63.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.884 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -24.02 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.32 111.1 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.68 ' CE1' HG21 ' A' ' 55' ' ' ILE . 39.1 t80 -85.45 -22.81 28.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.942 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -50.41 -30.67 12.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 72.3 110.862 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 m -54.49 -28.82 47.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 61.22 110.885 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -84.34 -57.88 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.873 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.3 mtt -50.12 -33.54 19.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 74.33 110.873 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.1 ptp -79.8 -34.48 39.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 73.12 110.876 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -53.65 -60.88 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 61.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.3 mp -78.64 -33.56 47.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 51.34 110.938 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 73.21 112.49 179.846 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.79 0.329 . . . . 71.04 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -111.38 29.96 7.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 71.04 110.874 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mmt -106.27 -39.89 5.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.898 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.433 ' CE2' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -138.22 -70.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 75.33 110.894 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.434 ' CG ' ' HB3' ' A' ' 17' ' ' ALA . 10.7 t-20 47.26 61.22 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.34 110.882 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.584 ' HA ' HD23 ' A' ' 18' ' ' LEU . 10.0 t -58.09 -26.86 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 64.21 111.092 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.71 -7.73 58.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 70.13 111.042 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.434 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . . . -119.24 -14.8 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 65.32 111.127 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 19' ' ' THR . 0.3 OUTLIER -95.41 150.4 20.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 70.35 110.886 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.665 ' N ' HD12 ' A' ' 18' ' ' LEU . 31.8 p -141.61 -172.68 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 42.45 111.164 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.7 mttp 70.88 140.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 65.34 110.895 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.541 ' HA ' HD13 ' A' ' 61' ' ' LEU . 6.4 ttt-85 -74.44 -33.1 62.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.904 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.03 -60.41 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 72.14 111.091 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -58.67 -39.19 79.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.34 110.86 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.604 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -67.48 -51.94 45.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 71.22 111.087 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.84 -29.34 54.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 73.44 110.908 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -73.31 -30.47 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 74.15 110.88 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 mt -87.09 -30.38 21.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 74.42 110.902 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . . . -78.99 -25.13 43.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.33 111.121 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -21.84 64.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.865 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -103.02 -22.95 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 63.32 110.929 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.681 HD13 ' CH2' ' A' ' 45' ' ' TRP . 29.4 mt -80.99 -2.57 48.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 70.34 110.931 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 34.3 mtm -118.89 -32.47 4.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 65.33 110.9 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.51 -20.28 64.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.746 . . . . 72.02 112.495 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -116.41 112.99 22.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 63.14 110.893 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -78.57 -21.9 47.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 53.21 110.856 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -69.0 -42.13 76.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 71.34 110.876 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.3 tp -83.08 -47.36 11.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 64.54 110.947 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.83 -31.68 28.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 45.32 111.083 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.94 -41.58 83.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 52.24 110.87 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.18 -17.48 34.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 65.41 111.084 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.81 -57.68 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 70.12 111.116 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.422 ' CE2' HD12 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -52.31 -28.29 18.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 73.22 110.946 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.422 HD12 ' CE2' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -86.01 -30.33 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 72.14 111.178 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -63.76 -53.96 42.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 72.54 110.883 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.681 ' CH2' HD13 ' A' ' 31' ' ' LEU . 9.8 m0 -47.22 -54.98 9.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 72.41 110.879 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -51.2 -38.17 50.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 75.32 110.912 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -55.34 -32.54 62.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.855 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -96.93 25.78 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 72.24 110.894 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 51.71 55.01 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 75.22 110.855 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.59 HG21 HD11 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -77.35 152.11 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 70.32 111.168 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 t -108.27 145.41 34.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.42 111.129 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -54.93 -43.14 73.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 62.34 110.922 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.46 -23.12 47.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 72.42 110.822 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -83.18 -65.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 63.33 110.897 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.681 HG21 ' CE1' ' A' ' 75' ' ' TYR . 46.8 mm -54.91 -43.1 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 52.42 111.095 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -57.54 -28.45 63.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 75.42 110.841 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.7 m -86.76 -19.45 29.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 75.53 111.14 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.7 ' HA ' HD23 ' A' ' 61' ' ' LEU . 3.8 t80 -85.8 -45.48 11.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.2 110.873 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.626 HD13 ' HD1' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -74.0 -49.38 24.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.89 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -50.39 -48.49 55.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 64.24 110.92 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.7 HD23 ' HA ' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -51.58 -28.11 13.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 71.14 110.893 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 72.05 111.076 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.504 -0.239 . . . . 45.25 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.32 -58.44 4.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 74.54 111.093 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -10.86 60.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 74.13 110.872 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.626 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -66.07 -34.93 79.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 72.13 110.879 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -80.86 -12.88 59.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 62.14 110.866 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.8 -63.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 72.22 110.906 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.37 -20.99 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 72.22 111.109 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.681 ' CE1' HG21 ' A' ' 55' ' ' ILE . 39.1 t80 -84.74 -22.52 29.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.12 110.929 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -50.52 -28.79 9.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 61.34 110.891 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -51.91 -30.67 25.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 72.43 110.85 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -86.94 -61.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.92 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.6 -31.34 10.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.889 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.7 tpt -76.69 -46.32 26.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 74.32 110.818 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -53.16 -63.01 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.879 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.88 -30.23 70.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 74.41 110.94 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 71.31 112.486 179.92 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.851 0.357 . . . . 74.33 110.922 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -109.75 24.66 12.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 70.43 110.881 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 21.5 mmt -97.5 -38.06 9.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 60.13 110.879 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -138.15 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 65.03 110.899 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.73 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 5.4 p30 40.7 66.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 64.31 110.887 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.425 HG13 ' HB2' ' A' ' 58' ' ' PHE . 7.1 t -65.53 -28.35 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 72.01 111.099 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.0 -8.36 59.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.11 111.11 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.73 ' HB3' ' HB2' ' A' ' 14' ' ' ASN . . . -114.74 -12.75 12.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 70.52 111.098 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.749 HD22 HD13 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -102.8 136.87 41.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 64.43 110.925 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.8 p -142.96 121.73 12.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 52.33 111.109 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.12 160.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 62.41 110.852 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -76.69 -67.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 73.23 110.838 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.89 -46.85 14.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 74.45 111.111 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.412 ' O ' HD12 ' A' ' 27' ' ' LEU . 1.1 t0 -48.4 -32.85 8.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 71.41 110.885 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.686 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -77.32 -40.04 45.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 61.42 111.142 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -37.38 87.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 62.14 110.907 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -62.54 -57.85 9.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 75.45 110.884 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.749 HD13 HD22 ' A' ' 18' ' ' LEU . 3.8 mt -51.84 -30.74 24.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.897 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 58' ' ' PHE . . . -79.29 -37.17 38.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.117 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.73 -60.13 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.884 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -53.87 -33.14 55.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 64.21 110.902 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.553 HD13 ' CH2' ' A' ' 45' ' ' TRP . 92.1 mt -74.41 -28.36 61.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.926 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.465 ' SD ' HD23 ' A' ' 59' ' ' LEU . 67.4 mtp -96.82 4.49 51.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.43 110.862 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.53 -21.94 4.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 24.44 112.469 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -124.74 118.55 26.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.328 . . . . 71.02 110.946 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -78.3 -23.3 47.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 64.34 110.861 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -67.02 -38.8 86.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 61.34 110.878 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.9 tp -85.32 -47.04 10.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 53.04 110.884 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -51.78 -32.6 31.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 64.01 111.095 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -56.41 -40.79 75.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.897 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.4 -18.13 32.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 65.44 111.148 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.486 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -79.88 -58.05 3.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 62.34 111.119 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -29.05 15.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 75.51 110.903 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.37 -32.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 73.42 111.111 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -62.04 -51.1 69.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 75.25 110.909 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.553 ' CH2' HD13 ' A' ' 31' ' ' LEU . 9.4 m0 -49.5 -51.86 33.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 73.32 110.903 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.04 -30.47 61.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 73.52 110.864 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -59.79 -25.48 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 73.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -107.5 25.82 11.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 72.24 110.896 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 51.75 51.53 16.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 63.33 110.856 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.615 HG21 HD11 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -70.49 147.34 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 52.45 111.184 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 t -104.65 143.59 32.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 72.22 111.147 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -53.0 -44.54 67.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 73.55 110.916 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -55.61 -24.91 35.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 63.02 110.896 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.39 -66.67 0.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.932 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.694 HG21 ' CE1' ' A' ' 75' ' ' TYR . 44.7 mm -52.32 -40.32 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.24 111.181 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -56.17 -56.27 22.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 55.1 110.854 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.4 m -57.9 -19.92 33.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 75.31 111.092 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.667 ' HA ' HD23 ' A' ' 61' ' ' LEU . 15.3 t80 -85.93 -62.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 61.42 110.902 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.629 HD12 ' CG2' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -59.7 -47.17 86.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 74.32 110.895 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -51.02 -51.0 57.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 63.43 110.909 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.686 HD21 ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -54.24 -25.25 22.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 64.05 110.912 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 74.12 111.063 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.548 -0.221 . . . . 73.14 112.548 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.32 -58.67 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 33.41 111.106 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -71.77 -9.88 58.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 62.45 110.898 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.472 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -68.5 -35.53 77.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 75.02 110.954 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -82.68 -13.88 55.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 70.21 110.89 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -67.98 -63.31 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.915 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -21.2 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.2 111.174 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.694 ' CE1' HG21 ' A' ' 55' ' ' ILE . 42.5 t80 -85.38 -22.41 28.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 74.35 110.92 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -50.36 -30.38 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.889 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 t -54.43 -28.91 47.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 65.21 110.876 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -86.47 -61.64 1.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.118 -0.492 . . . . 64.44 110.946 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 43.7 mtp -51.17 -30.47 16.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 75.11 110.899 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.9 ttt -75.5 -45.13 40.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 72.04 110.902 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -52.51 -58.07 7.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 75.03 110.871 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.5 mp -73.52 -31.53 63.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 70.31 110.896 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 75.1 112.511 179.919 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.828 0.347 . . . . 75.44 110.953 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -115.61 29.71 7.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 71.25 110.899 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.9 mmt -101.44 -41.88 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 73.15 110.899 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.538 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -137.51 -73.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 64.34 110.903 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 48.29 66.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 54.23 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.928 HG21 HD13 ' A' ' 55' ' ' ILE . 16.8 m -59.53 -18.55 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 71.22 111.105 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.48 -8.78 57.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 62.11 111.099 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.04 -22.76 7.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 75.53 111.139 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -91.28 133.93 35.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 72.0 110.919 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.9 p -142.61 122.48 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 65.33 111.129 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.28 152.56 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 75.32 110.881 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -76.46 -67.7 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 63.32 110.842 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.77 -47.89 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 72.41 111.123 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -48.45 21.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 71.4 110.869 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.608 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -63.41 -42.55 98.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.3 111.103 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.51 -27.99 51.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 64.21 110.848 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -77.19 -49.84 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 73.41 110.884 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -51.25 -37.21 45.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 70.4 110.904 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.667 ' HB2' ' CZ ' ' A' ' 58' ' ' PHE . . . -79.16 -28.27 42.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.069 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -51.99 -60.8 2.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 65.14 110.93 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -61.4 -28.38 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 75.01 110.882 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.621 HD13 ' HH2' ' A' ' 45' ' ' TRP . 58.6 mt -75.68 -19.69 58.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 60.22 110.945 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.0 mtm -95.68 -22.66 17.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 62.55 110.849 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.2 -46.78 2.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 52.23 112.479 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -80.11 109.69 14.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 51.05 110.893 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -72.57 -51.14 21.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 62.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -29.26 31.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.937 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.5 tp -85.61 -49.07 8.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 65.03 110.888 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -57.51 -26.18 60.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 62.35 111.109 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.44 -40.38 90.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 70.42 110.869 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.78 -19.65 28.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.44 111.105 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.465 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.77 -56.44 4.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 61.23 111.061 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.46 -30.1 18.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 62.25 110.892 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.86 -29.27 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 63.03 111.18 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -59.7 -59.27 5.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.892 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.621 ' HH2' HD13 ' A' ' 31' ' ' LEU . 5.9 m-90 -46.28 -55.64 6.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.431 . . . . 72.52 110.867 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -50.81 -40.08 54.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.918 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -54.93 -32.79 61.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 75.52 110.901 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -95.47 25.06 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 75.31 110.879 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 51.71 51.81 15.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.876 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.2 151.8 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 75.41 111.152 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 t -105.99 143.91 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.188 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.3 -39.0 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 65.31 110.931 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -61.22 -21.44 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 64.42 110.891 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -83.27 -66.08 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 74.52 110.899 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.928 HD13 HG21 ' A' ' 15' ' ' VAL . 47.0 mm -54.51 -44.47 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 73.5 111.177 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -56.6 -23.66 42.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 73.0 110.901 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.8 m -87.08 -26.86 23.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 75.1 111.185 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.806 ' HA ' HD23 ' A' ' 61' ' ' LEU . 14.1 t80 -85.71 -64.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 71.33 110.854 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.747 HD12 ' CG2' ' A' ' 55' ' ' ILE . 2.3 mt -49.45 -51.65 34.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 64.42 110.969 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.69 -47.39 63.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 53.52 110.904 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.806 HD23 ' HA ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -54.44 -25.58 25.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 70.04 110.907 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.636 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 71.55 111.075 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.505 -0.238 . . . . 43.42 112.505 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.54 -58.36 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.373 . . . . 73.34 111.114 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.58 -12.88 61.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 71.34 110.88 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.449 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -62.12 -35.5 78.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.901 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -81.85 -13.19 57.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 70.02 110.935 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -63.54 1.04 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 72.11 110.913 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -21.84 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 72.44 111.167 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.696 ' CE1' HG21 ' A' ' 55' ' ' ILE . 34.7 t80 -85.12 -22.27 28.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 73.54 110.924 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -49.96 -30.01 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 73.12 110.905 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.6 m -53.53 -31.89 48.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 44.12 110.876 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.482 ' CZ ' HD22 ' A' ' 82' ' ' LEU . 25.8 t80 -86.5 -60.62 1.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 74.43 110.969 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.6 mmm -49.84 -31.82 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 62.03 110.884 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.2 ttt -75.98 -44.54 39.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.13 110.876 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -61.29 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 72.21 110.861 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.482 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 8.9 mp -68.34 -30.56 69.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.882 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 75.11 112.473 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.84 0.352 . . . . 74.34 110.874 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -107.38 21.32 17.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 64.53 110.883 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 85.9 mmm -84.95 -40.24 17.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.876 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.523 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -142.92 -73.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.846 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 48.15 66.04 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 73.32 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.888 HG21 HD13 ' A' ' 55' ' ' ILE . 13.9 m -59.4 -19.52 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 75.33 111.165 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.36 -8.92 58.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.12 111.14 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.52 -22.09 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 60.2 111.09 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.652 HD22 HD13 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -93.64 137.35 32.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 72.52 110.901 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.7 p -142.39 120.75 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 62.51 111.134 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 174.32 140.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 75.41 110.917 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -74.92 -44.76 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.839 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.76 -53.24 6.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 71.05 111.077 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -49.11 -55.49 12.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 71.35 110.886 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.783 ' HB3' HD11 ' A' ' 61' ' ' LEU . . . -52.29 -29.82 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 72.51 111.133 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -40.53 77.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.875 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -79.65 -30.49 41.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.903 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.652 HD13 HD22 ' A' ' 18' ' ' LEU . 33.6 mt -66.56 -53.54 33.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.907 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.673 ' HB2' ' CZ ' ' A' ' 58' ' ' PHE . . . -68.46 -25.03 64.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 73.55 111.032 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -50.93 -61.62 2.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 74.12 110.916 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -60.7 -26.63 67.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 73.12 110.891 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.611 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 77.6 mt -74.73 -26.17 59.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 71.4 110.91 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.8 mtp -94.77 4.99 53.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 65.12 110.898 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.02 -47.15 0.31 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 75.22 112.518 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -82.47 114.13 20.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 71.45 110.894 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -70.07 -48.87 56.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 74.25 110.917 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -24.19 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 50.51 110.892 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.2 tp -85.79 -56.07 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 63.12 110.929 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -55.21 -30.3 59.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 72.42 111.076 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.26 -40.72 86.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 61.04 110.907 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.76 -19.32 29.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 61.25 111.094 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.433 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.64 -56.07 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 73.01 111.101 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.79 -30.28 32.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.963 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.68 -25.05 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 70.04 111.134 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -66.34 -55.05 17.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 63.42 110.894 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.587 ' HH2' HD13 ' A' ' 31' ' ' LEU . 6.8 m0 -46.59 -54.77 8.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 74.04 110.914 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -51.92 -37.46 52.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 63.35 110.899 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -55.36 -34.56 64.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 70.01 110.888 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.72 22.69 6.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.897 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 54.81 52.7 11.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.848 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.02 149.18 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 74.33 111.098 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.3 t -106.15 144.51 32.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 54.55 111.135 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -53.07 -41.99 65.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.1 110.92 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.77 -22.47 47.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.83 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -83.18 -65.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 71.03 110.915 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.888 HD13 HG21 ' A' ' 15' ' ' VAL . 45.4 mm -55.63 -48.54 77.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.13 111.167 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -52.87 -27.08 16.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.857 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 70.2 m -87.14 -29.04 22.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 64.01 111.133 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' A' ' 28' ' ' ALA . 12.2 t80 -78.31 -62.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 71.25 110.869 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.711 HD12 ' CG2' ' A' ' 55' ' ' ILE . 1.1 mt -53.57 -49.93 66.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 63.42 110.927 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -50.06 -56.33 11.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 75.54 110.918 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.783 HD11 ' HB3' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -54.47 -24.91 22.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 71.34 110.942 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.608 ' CB ' ' HB3' ' A' ' 28' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.35 111.093 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.526 -0.229 . . . . 74.34 112.526 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.9 -58.44 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 71.41 111.099 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -69.98 -10.75 59.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.922 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.504 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -65.19 -36.65 84.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.876 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -81.52 -13.44 58.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 72.14 110.856 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -68.52 -63.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 70.34 110.949 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -21.88 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 64.14 111.156 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.711 ' CE1' HG21 ' A' ' 55' ' ' ILE . 37.2 t80 -85.19 -22.5 28.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 73.41 110.923 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -50.0 -31.11 11.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 73.44 110.879 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.9 m -53.91 -31.47 50.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 51.34 110.822 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -86.44 -61.13 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 72.1 110.932 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 56.9 mtp -49.53 -32.17 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 55.23 110.86 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.6 ttt -74.68 -41.48 60.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 72.21 110.881 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -57.83 -55.35 36.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 71.54 110.87 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.13 -30.31 70.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.904 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.755 -0.736 . . . . 52.21 112.475 179.878 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.794 0.33 . . . . 72.51 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -113.05 26.22 10.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 42.43 110.875 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mmt -99.49 -42.3 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 42.05 110.872 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.566 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -136.87 -73.15 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 71.14 110.914 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.49 61.61 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 72.12 110.904 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 t -58.34 -26.72 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 74.55 111.142 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.28 -8.06 58.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.04 111.098 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.68 -24.67 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 61.31 111.071 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.973 HD22 HD13 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -92.7 131.48 37.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 54.52 110.906 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 42.8 p -143.12 121.89 12.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 70.12 111.161 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tptt 178.95 162.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 74.14 110.934 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -76.77 -67.84 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 73.42 110.879 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.95 -47.65 13.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 65.12 111.063 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -47.71 -33.8 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 74.22 110.859 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.716 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -75.14 -48.36 24.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 45.12 111.084 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.25 -39.0 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.911 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -62.8 -26.17 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 70.21 110.894 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.973 HD13 HD22 ' A' ' 18' ' ' LEU . 22.2 mt -82.17 -45.64 14.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 74.21 110.904 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . . . -70.26 -25.19 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 73.03 111.103 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -54.32 -58.98 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 61.44 110.939 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -66.65 -30.36 70.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.896 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.697 HD13 ' CH2' ' A' ' 45' ' ' TRP . 43.0 mt -71.61 -21.06 61.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 71.53 110.915 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.406 ' HE3' ' HB2' ' A' ' 32' ' ' MET . 54.9 mtm -93.92 -21.67 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 75.45 110.926 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.03 -57.09 1.04 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 52.23 112.478 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -65.76 114.78 5.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 60.22 110.871 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -78.06 -48.95 14.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 64.12 110.875 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -28.02 64.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 54.51 110.929 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.2 tp -85.74 -56.14 3.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 63.31 110.881 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -51.64 -30.09 20.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 61.43 111.11 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -56.76 -40.76 76.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.876 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.44 -18.31 32.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 72.55 111.098 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.471 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.8 -57.1 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 60.1 111.087 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.84 -29.23 26.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.964 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.66 -26.29 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 74.12 111.086 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -67.31 -53.88 25.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 70.25 110.923 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.697 ' CH2' HD13 ' A' ' 31' ' ' LEU . 8.6 m0 -47.3 -54.46 10.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 75.21 110.925 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.92 -36.24 48.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 73.34 110.911 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -56.53 -34.03 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 65.43 110.889 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.11 25.83 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 73.55 110.832 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 51.62 51.48 16.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.858 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -72.66 158.06 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 51.13 111.095 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.1 t -115.97 143.82 44.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 73.4 111.174 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -52.35 -45.71 65.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.14 110.865 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.633 ' O ' HG23 ' A' ' 57' ' ' THR . 83.2 m-20 -55.5 -25.56 37.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 54.31 110.854 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -83.03 -66.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.913 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.694 HD11 HG21 ' A' ' 50' ' ' VAL . 46.3 mm -53.81 -27.66 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 70.15 111.137 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.74 -56.62 9.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 63.1 110.85 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 53' ' ' ASP . 44.4 p -57.85 -20.12 33.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 64.14 111.142 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.696 ' HA ' HD23 ' A' ' 61' ' ' LEU . 10.7 t80 -86.26 -61.3 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 64.42 110.845 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.651 HD12 HG22 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -61.06 -47.51 86.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.928 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.0 -50.39 58.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 71.24 110.893 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.716 HD21 ' HB1' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -53.84 -25.01 17.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 62.11 110.916 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 70.11 111.099 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.476 -0.25 . . . . 60.31 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.31 -58.53 3.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 52.02 111.078 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -68.45 -14.75 63.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 73.33 110.877 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.506 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.05 -37.16 83.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 64.44 110.928 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -82.48 -13.91 55.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 60.1 110.875 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -63.23 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 63.1 110.904 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.403 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -70.59 -23.16 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.13 111.105 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.657 ' CE1' HG21 ' A' ' 55' ' ' ILE . 35.3 t80 -85.47 -22.41 28.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.931 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.41 -31.31 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 62.21 110.928 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 t -52.29 -30.5 28.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 64.01 110.838 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -86.43 -60.04 2.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.897 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 47.8 mtp -50.44 -31.21 14.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 72.44 110.895 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.2 tpt -77.8 -42.4 33.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.04 110.893 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -57.01 -62.59 1.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 72.22 110.873 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.32 -31.81 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.926 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.722 -0.751 . . . . 65.12 112.547 179.923 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.819 0.343 . . . . 73.1 110.9 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -113.94 22.57 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 53.24 110.905 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 21.0 mmt -100.0 -38.9 8.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 73.02 110.922 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -138.88 -66.93 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.836 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.73 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 5.4 p30 40.71 66.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.888 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.411 ' HA ' HD23 ' A' ' 18' ' ' LEU . 5.6 t -66.08 -29.19 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 73.33 111.134 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.97 -8.39 59.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 60.41 111.093 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.73 ' HB3' ' HB2' ' A' ' 14' ' ' ASN . . . -114.43 -13.14 12.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 65.35 111.092 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.566 HD22 HD13 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -102.85 138.54 39.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 71.42 110.936 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.2 p -142.75 121.72 12.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 71.32 111.133 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 177.6 155.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 63.41 110.906 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -76.23 -67.75 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 51.41 110.847 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.71 -46.74 15.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 71.12 111.113 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -48.78 -32.03 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 64.34 110.849 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.724 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -68.41 -53.96 20.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 65.21 111.068 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.628 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 0.5 OUTLIER -56.03 -29.53 60.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 52.32 110.865 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -59.01 -35.0 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.944 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.566 HD13 HD22 ' A' ' 18' ' ' LEU . 4.7 mt -87.14 -40.51 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.922 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 58' ' ' PHE . . . -65.61 -25.44 67.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 74.22 111.077 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -61.63 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.938 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -58.86 -32.02 69.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 71.32 110.9 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.663 HD13 ' CH2' ' A' ' 45' ' ' TRP . 54.9 mt -71.37 -25.15 62.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.948 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.0 mtm -97.38 2.86 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 64.55 110.834 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.19 -43.38 0.66 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 63.32 112.513 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -86.51 112.01 21.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.337 . . . . 70.4 110.915 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -72.1 -29.95 64.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 72.25 110.885 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -37.19 62.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 65.45 110.905 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.1 tp -77.69 -52.02 9.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 73.42 110.918 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -52.79 -34.47 53.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 65.31 111.073 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.35 -40.71 71.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.823 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.17 -18.2 32.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 75.01 111.116 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.48 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -79.79 -57.75 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 70.04 111.096 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -52.31 -28.94 21.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 72.24 110.92 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.57 -28.67 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 73.45 111.141 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -67.14 -49.94 63.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 65.24 110.923 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.663 ' CH2' HD13 ' A' ' 31' ' ' LEU . 9.1 m0 -49.37 -55.56 12.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 73.41 110.919 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.41 -33.6 54.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 72.42 110.895 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -57.17 -29.23 63.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 74.2 110.828 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -101.08 25.38 8.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 73.53 110.881 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 52.64 49.19 20.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.851 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.618 HG21 HD11 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -69.79 157.48 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 72.01 111.144 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.476 HG23 ' H ' ' A' ' 54' ' ' GLN . 8.9 t -115.51 143.7 44.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 75.12 111.147 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.66 -45.28 66.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 71.15 110.887 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -55.27 -25.45 33.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 64.44 110.876 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.476 ' H ' HG23 ' A' ' 51' ' ' THR . 1.7 tp60 -83.23 -66.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.946 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.675 HG21 ' CE1' ' A' ' 75' ' ' TYR . 45.1 mm -52.54 -41.99 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 62.45 111.106 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -55.67 -55.98 25.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 64.01 110.879 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 46.5 m -58.19 -19.79 36.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 62.23 111.163 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.676 ' HA ' HD23 ' A' ' 61' ' ' LEU . 10.1 t80 -85.98 -61.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.902 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.564 HD12 ' CG2' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -61.4 -47.25 86.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 71.32 110.862 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -51.05 -49.15 61.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 74.25 110.888 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.724 HD21 ' HB1' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -54.25 -24.97 20.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 72.13 110.91 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.628 ' HB2' ' HA ' ' A' ' 25' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 71.31 111.082 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.502 -0.239 . . . . 63.21 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.49 -58.34 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 30.33 111.073 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -68.82 -11.74 60.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.13 110.911 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.471 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -64.58 -34.42 78.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 71.24 110.888 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -82.62 -14.13 55.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 63.43 110.929 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -69.21 -63.24 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 72.4 110.887 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -21.91 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 74.22 111.156 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.675 ' CE1' HG21 ' A' ' 55' ' ' ILE . 40.0 t80 -85.71 -22.84 27.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 75.35 110.919 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -49.4 -32.19 11.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 70.54 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.5 m -53.18 -34.73 58.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 70.13 110.869 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -78.84 -59.74 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 71.15 110.897 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.5 mtm -50.6 -30.89 14.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 54.42 110.834 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.9 mmm -76.37 -51.19 12.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 65.34 110.845 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -52.21 -46.31 65.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 70.33 110.845 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -71.91 -32.74 67.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 73.4 110.917 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 72.23 112.467 179.916 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.826 0.346 . . . . 72.44 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.69 35.92 4.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 63.02 110.914 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.9 mmm -107.11 -38.33 6.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 71.43 110.826 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.542 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -142.97 -74.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 72.41 110.861 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 48.2 66.4 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 73.55 110.872 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.881 HG21 HD13 ' A' ' 55' ' ' ILE . 15.0 m -59.5 -18.9 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 53.42 111.119 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.23 -8.86 57.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 40.44 111.118 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.37 -23.14 7.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 73.42 111.069 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.851 HD22 HD13 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -91.47 134.78 34.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 74.12 110.913 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -142.32 122.12 13.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 71.12 111.181 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 178.85 154.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.24 110.868 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -76.43 -67.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 73.03 110.862 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.85 -47.46 13.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 63.32 111.099 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.64 -33.99 7.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 71.53 110.903 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.753 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -76.94 -40.93 45.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 34.41 111.11 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -28.57 69.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 72.22 110.845 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -78.73 -28.1 44.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 75.33 110.905 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.851 HD13 HD22 ' A' ' 18' ' ' LEU . 19.8 mt -70.08 -46.57 64.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 74.23 110.882 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.73 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . . . -73.98 -25.32 59.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 74.43 111.117 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -51.22 -54.57 24.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 62.42 110.879 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -69.14 -31.4 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.55 110.945 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.623 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 69.5 mt -68.49 -25.52 65.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 75.34 110.941 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.7 mtp -96.82 -17.83 19.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 55.32 110.883 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.89 -37.15 6.46 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 64.22 112.485 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -104.81 117.87 35.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 50.44 110.915 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -78.42 -22.89 47.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 71.32 110.859 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -43.45 78.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 65.51 110.922 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.2 tp -77.89 -46.24 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 64.22 110.957 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -54.62 -26.72 34.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 45.11 111.166 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.3 -42.99 96.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 60.34 110.859 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.59 -21.56 26.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 70.11 111.11 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.435 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -77.01 -56.43 4.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 60.12 111.144 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.47 -31.12 22.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.921 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.4 -27.97 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.54 111.157 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -62.08 -54.85 35.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 63.31 110.908 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.613 ' HH2' HD13 ' A' ' 31' ' ' LEU . 6.7 m0 -47.67 -53.84 13.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.944 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -53.36 -34.78 58.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 71.34 110.962 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -57.89 -33.14 68.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.863 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.71 25.42 5.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.13 110.866 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 51.87 54.86 10.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.86 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.93 147.76 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 71.15 111.154 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.5 t -105.0 144.8 31.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.35 111.155 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -53.02 -43.03 66.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.911 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -56.69 -22.46 35.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 71.34 110.88 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -83.53 -65.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 62.22 110.893 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.881 HD13 HG21 ' A' ' 15' ' ' VAL . 39.3 mm -56.02 -47.25 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 72.54 111.148 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -54.48 -25.44 25.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 74.41 110.842 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.7 m -87.48 -25.95 23.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 74.41 111.12 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.812 ' HA ' HD23 ' A' ' 61' ' ' LEU . 11.8 t80 -85.67 -63.84 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.75 HD12 ' CG2' ' A' ' 55' ' ' ILE . 1.2 mt -51.05 -51.07 56.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 71.32 110.909 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -51.44 -49.35 61.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 64.31 110.916 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.812 HD23 ' HA ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -54.85 -25.16 26.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 61.22 110.932 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.73 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 73.0 111.119 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.496 -0.242 . . . . 73.35 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.4 -58.67 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.81 0.338 . . . . 73.51 111.044 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -14.07 61.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 72.5 110.923 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.493 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -60.41 -35.18 75.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.896 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -81.87 -13.56 57.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 71.54 110.888 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -70.28 -63.31 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 42.45 110.927 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -22.1 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 72.41 111.116 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.705 ' CE1' HG21 ' A' ' 55' ' ' ILE . 34.8 t80 -85.27 -23.25 28.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 74.12 110.931 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -50.97 -30.87 16.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 72.21 110.864 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.2 m -54.73 -29.4 53.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.05 110.883 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -86.32 -60.89 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 75.54 110.905 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 56.1 mtm -50.84 -35.07 30.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 71.02 110.859 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.6 ttt -70.7 -41.98 71.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 70.21 110.85 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -22.88 61.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 65.25 110.875 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -83.99 -34.15 24.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.898 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 62.01 112.492 179.917 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.1 0 CA-C-O 120.822 0.259 . . . . 43.11 112.322 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -80.02 -26.23 39.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 74.03 110.876 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -58.36 151.1 20.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 72.43 110.879 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -123.93 102.37 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 75.41 110.934 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.6 mt -67.1 132.78 48.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 73.24 110.891 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -118.38 134.89 54.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 71.32 111.118 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.0 p -145.37 179.26 7.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 74.1 110.86 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.5 tp -124.22 101.01 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 64.02 110.876 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -120.45 89.66 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.87 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -103.41 13.83 32.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 65.04 110.863 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -113.84 27.12 9.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 73.41 110.899 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -100.58 -43.16 6.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 71.32 110.863 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -136.79 -72.85 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 71.34 110.912 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.06 61.82 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 62.12 110.859 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.9 t -58.33 -25.86 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 74.23 111.117 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.63 -8.25 59.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 72.1 111.101 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.46 -24.35 7.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 72.22 111.084 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.861 HD22 HD13 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -92.62 132.15 37.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 61.44 110.881 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.3 p -143.16 121.93 12.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 41.4 111.152 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 177.79 161.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 51.43 110.878 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.1 mmt-85 -75.93 -67.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 65.33 110.882 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.22 -45.82 17.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 73.54 111.105 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.23 -32.2 10.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 63.5 110.904 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.681 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -80.36 -47.57 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 61.22 111.065 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 2.5 ttmt -55.93 -36.28 67.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.52 110.921 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -67.44 -45.52 75.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 64.11 110.889 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.861 HD13 HD22 ' A' ' 18' ' ' LEU . 24.0 mt -63.22 -39.76 95.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 73.22 110.937 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.517 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . . . -71.77 -34.95 69.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 72.42 111.116 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -51.54 -61.57 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 74.14 110.881 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -60.51 -21.89 62.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 52.43 110.916 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.708 HD13 ' CH2' ' A' ' 45' ' ' TRP . 34.5 mt -86.04 -10.9 54.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 70.44 110.942 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.2 mtm -104.45 -21.76 13.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 64.24 110.89 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.83 -51.41 1.65 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.748 . . . . 72.1 112.467 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -73.65 111.38 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 64.4 110.867 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -72.9 -50.33 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 71.23 110.906 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -27.93 57.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 70.1 110.898 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.6 tp -85.39 -54.98 4.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 71.31 110.919 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -54.37 -27.7 38.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 64.23 111.097 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.52 -41.44 80.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 63.11 110.855 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.82 -17.71 32.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 54.53 111.086 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.517 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.98 -56.69 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 64.42 111.14 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -29.47 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 71.21 110.943 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.8 -26.96 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 74.11 111.138 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.6 t90 -64.52 -56.92 10.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 64.42 110.914 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.708 ' CH2' HD13 ' A' ' 31' ' ' LEU . 7.0 m0 -47.13 -55.75 7.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 64.14 110.884 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -51.13 -38.04 49.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 61.2 110.949 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -54.72 -33.17 60.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 52.03 110.836 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -96.53 25.75 4.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 41.14 110.879 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.74 50.62 18.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.821 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.635 HG21 HD11 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -70.95 157.77 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 73.21 111.141 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 t -111.99 143.64 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 63.14 111.169 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -53.74 -43.88 69.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 63.24 110.933 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.75 -24.33 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 61.01 110.891 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -83.14 -66.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.936 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.742 HG22 HD12 ' A' ' 59' ' ' LEU . 44.0 mm -54.34 -29.72 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.45 111.1 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.49 -57.2 8.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.857 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.5 m -58.37 -19.66 37.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 44.45 111.097 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.672 ' HA ' HD23 ' A' ' 61' ' ' LEU . 18.0 t80 -86.26 -59.69 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.1 110.86 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.742 HD12 HG22 ' A' ' 55' ' ' ILE . 0.8 OUTLIER -63.04 -47.66 82.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 70.13 110.941 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -50.76 -50.4 55.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.31 110.923 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.681 HD21 ' HB1' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -53.73 -25.49 18.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 64.13 110.917 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.517 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . -85.82 -29.51 23.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.44 111.11 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.6 p -99.31 -172.06 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 74.42 110.834 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -55.2 174.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 73.13 110.9 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -97.36 27.66 4.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 73.3 110.936 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.9 m -108.19 56.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 62.3 111.168 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 58.42 24.08 11.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.887 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 52.21 88.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 71.14 112.461 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.08 -58.37 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 74.15 111.105 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -69.94 -10.94 60.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.909 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.504 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -66.58 -36.44 82.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 74.03 110.909 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -82.58 -13.89 55.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 55.3 110.896 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -70.21 -63.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 75.31 110.915 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -70.73 -23.05 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 61.44 111.121 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.658 ' CE1' HG21 ' A' ' 55' ' ' ILE . 35.4 t80 -85.45 -22.45 28.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.485 . . . . 65.41 110.901 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.46 -29.67 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 71.45 110.884 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.7 m -52.64 -32.34 41.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 64.24 110.878 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -86.61 -60.11 2.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 74.32 110.973 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 42.9 mtp -49.56 -31.37 10.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 74.43 110.866 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 28.9 tpp -76.62 -40.98 47.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.882 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -48.73 72.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.872 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.49 -33.48 64.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.04 110.922 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 70.27 37.48 71.27 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 61.45 112.524 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.9 pp -118.02 28.16 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 75.22 110.907 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.5 t -70.96 172.68 8.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 74.4 111.138 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 121.8 49.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.748 . . . . 71.15 112.529 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -96.32 -57.24 2.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 71.34 110.93 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.45 158.86 48.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.7 0.762 . . . . 44.44 110.878 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -42.15 3.65 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.657 2.238 . . . . 75.22 112.364 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -173.45 159.08 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.911 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.73 141.35 14.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 63.45 110.879 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.81 156.94 38.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 75.04 110.815 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t -174.65 -178.36 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 43.44 110.818 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.2 m -99.96 139.99 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 74.24 111.095 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.43 38.64 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 72.4 110.874 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -71.22 -43.19 67.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 71.55 110.899 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -51.73 -37.4 50.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 75.12 110.894 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.45 -43.29 97.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 61.33 111.113 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.48 139.22 57.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 52.11 111.065 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.86 174.05 7.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 74.52 111.147 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.35 25.87 8.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 73.15 110.914 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 73.3 110.867 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.748 0.228 . . . . 74.5 112.326 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 55.73 47.31 20.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 75.31 110.841 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -108.6 -43.46 4.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.906 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -64.36 167.23 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 72.44 110.872 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.573 ' H ' HD23 ' A' ' 5' ' ' LEU . 2.1 pt? -118.99 33.13 5.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 73.21 110.904 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -165.51 163.77 19.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 61.4 111.105 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.3 p -59.23 161.86 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 75.51 110.867 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tt -80.71 111.36 17.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.948 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -113.75 104.44 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 42.14 110.874 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -109.71 13.63 23.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 71.3 110.92 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -113.55 31.48 6.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 72.44 110.886 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 85.3 mmm -106.54 -41.74 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.882 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.593 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -137.43 -73.37 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.3 110.874 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.35 62.3 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 73.42 110.915 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 t -58.19 -26.88 30.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 74.33 111.138 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.08 -8.02 58.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 61.23 111.066 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.61 -24.74 7.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 52.32 111.115 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.002 HD22 HD13 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -93.02 130.18 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 74.35 110.917 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.3 p -143.75 121.66 12.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 73.52 111.115 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 8.1 tptp 178.84 162.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.88 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -76.66 -66.98 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 63.13 110.903 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.14 -48.0 13.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 51.24 111.091 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.44 -53.78 16.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 62.13 110.88 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 20' ' ' LYS . . . -67.06 -24.65 65.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 41.44 111.104 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -76.38 -27.94 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.879 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -79.45 -32.78 42.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 71.1 110.895 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.002 HD13 HD22 ' A' ' 18' ' ' LEU . 7.4 mt -67.0 -43.11 83.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 73.54 110.874 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.583 ' HB3' ' CB ' ' A' ' 62' ' ' ALA . . . -72.01 -25.6 61.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 71.1 111.098 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -55.51 -60.26 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 64.41 110.894 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -62.47 -29.99 70.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.888 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.678 HD13 ' CH2' ' A' ' 45' ' ' TRP . 38.6 mt -73.47 -23.27 60.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.891 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 78.6 mtp -91.38 -21.2 21.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 71.22 110.866 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.85 -53.05 1.33 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 42.35 112.459 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -71.7 114.67 10.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.855 0.36 . . . . 53.11 110.899 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.96 -49.05 14.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.874 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -28.11 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.899 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.2 tp -85.59 -51.67 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 75.31 110.921 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -55.39 -29.12 57.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 62.44 111.097 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.32 -41.3 79.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.836 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.86 -17.88 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 53.33 111.116 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.456 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -79.97 -57.39 3.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 61.33 111.093 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.48 -29.47 16.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 65.1 110.911 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.97 -29.92 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 74.35 111.137 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -61.16 -55.33 33.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 75.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.678 ' CH2' HD13 ' A' ' 31' ' ' LEU . 7.9 m0 -46.89 -52.74 13.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 72.42 110.903 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -50.83 -38.25 47.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 63.32 110.922 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -54.65 -33.68 61.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.855 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -95.44 25.2 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 54.43 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.9 mmm-85 51.39 43.57 29.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 70.45 110.844 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.472 HG21 HD11 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -61.71 153.23 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 52.3 111.12 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.1 t -109.02 143.59 38.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 64.43 111.127 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.7 -42.39 71.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 72.22 110.916 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -57.38 -22.95 46.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 72.45 110.919 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -66.27 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 63.44 110.904 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.673 HG21 ' CE1' ' A' ' 75' ' ' TYR . 46.6 mm -55.27 -29.05 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 74.11 111.117 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -71.01 -29.47 65.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 72.53 110.871 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.1 m -86.94 -19.73 28.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 72.11 111.129 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.778 ' HA ' HD23 ' A' ' 61' ' ' LEU . 15.6 t80 -86.47 -64.13 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 55.55 110.922 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.67 HD12 ' CG2' ' A' ' 55' ' ' ILE . 0.7 OUTLIER -53.98 -49.24 69.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.94 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -51.41 -50.39 59.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 61.54 110.957 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.778 HD23 ' HA ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -55.03 -24.61 25.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.952 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.583 ' CB ' ' HB3' ' A' ' 28' ' ' ALA . . . -82.2 -28.93 31.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 53.31 111.117 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.1 t -105.78 -170.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 65.24 110.901 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -58.9 163.81 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 73.21 110.875 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -89.58 49.11 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 74.03 110.917 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.3 m -120.19 51.35 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 72.14 111.1 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 60.47 19.72 9.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 74.13 110.912 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 51.87 81.88 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 43.12 112.488 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.27 -58.6 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 74.43 111.043 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -10.77 59.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 70.53 110.925 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.503 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -66.13 -34.5 78.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.926 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.53 -13.81 56.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.03 110.897 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -67.89 -63.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 73.21 110.875 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -20.64 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 73.25 111.133 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.673 ' CE1' HG21 ' A' ' 55' ' ' ILE . 45.0 t80 -85.22 -21.62 29.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 74.05 110.912 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -46.75 -34.61 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 75.25 110.914 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.1 m -52.11 -42.22 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 72.23 110.866 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -67.6 -60.79 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.894 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 33.6 mtp -52.4 -29.21 23.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 60.01 110.856 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -70.68 -38.19 73.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 54.42 110.863 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -73.33 -48.08 37.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 70.44 110.908 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.23 -32.74 73.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.15 110.927 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.23 29.84 63.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 40.05 112.472 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.402 HD12 ' C ' ' A' ' 84' ' ' LEU . 3.5 pp -115.54 25.92 10.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 75.35 110.885 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.7 t -55.54 170.1 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 75.15 111.109 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 131.0 36.38 0.35 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 62.13 112.488 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -114.82 164.67 13.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.839 0.352 . . . . 75.24 110.875 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 56.38 73.49 0.81 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.655 0.74 . . . . 65.05 110.878 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -174.62 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.272 . . . . 71.45 112.354 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -55.91 139.94 44.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 73.45 110.87 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 p -167.92 172.19 9.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 65.2 110.88 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.4 p -91.81 132.41 36.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 65.21 110.877 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.0 t -174.71 -177.26 1.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 60.15 110.836 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 22.2 m -103.12 152.51 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 73.52 111.14 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -125.11 -37.58 2.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 71.44 110.844 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -62.06 -46.23 90.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 71.12 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.6 mp -74.97 -31.65 61.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 74.1 110.889 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.19 -37.98 70.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 70.32 111.064 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.62 77.65 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 73.4 111.083 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.06 132.96 38.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 65.42 111.072 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.71 109.85 3.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.947 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 51.35 110.888 179.927 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.138 0 CA-C-O 120.78 0.242 . . . . 74.44 112.343 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 62.49 29.44 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 60.23 110.875 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -60.37 -29.63 69.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.04 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -68.06 150.87 47.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.885 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.593 HD23 ' N ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -110.76 -32.57 6.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 72.2 110.914 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.593 ' N ' HD23 ' A' ' 5' ' ' LEU . . . -67.67 -177.59 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 61.34 111.111 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.5 t -86.78 -75.04 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 64.3 110.877 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 8' ' ' LEU . 3.3 mm? -120.0 176.32 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.911 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -118.83 65.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 72.51 110.914 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -118.33 15.67 13.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 75.35 110.89 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -114.08 24.28 12.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 74.11 110.883 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 mmt -97.76 -42.52 7.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.861 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.551 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -136.31 -73.16 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 62.45 110.886 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 49.94 63.38 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 54.35 110.861 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 t -59.77 -27.03 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 74.14 111.112 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.05 -8.06 58.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 54.11 111.111 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.07 -24.27 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 75.15 111.115 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.974 HD22 HD13 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -93.14 131.75 37.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.95 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.0 p -143.42 121.93 12.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 65.44 111.171 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.0 OUTLIER 177.77 158.72 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 71.44 110.953 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -76.16 -60.74 2.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 64.22 110.891 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.53 -48.65 13.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.096 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.31 -56.72 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.2 110.871 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.71 ' CB ' HD21 ' A' ' 61' ' ' LEU . . . -60.69 -30.43 69.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 65.02 111.126 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -73.34 -28.26 61.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 74.34 110.879 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.65 -36.9 37.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 71.4 110.872 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.974 HD13 HD22 ' A' ' 18' ' ' LEU . 1.8 mt -65.91 -47.58 74.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 60.05 110.902 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.584 ' HB3' ' CB ' ' A' ' 62' ' ' ALA . . . -68.41 -25.44 65.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 71.33 111.096 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -54.0 -61.66 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.45 110.906 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -64.01 -32.8 74.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 64.31 110.912 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.651 HD13 ' CH2' ' A' ' 45' ' ' TRP . 51.8 mt -66.79 -26.17 66.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.912 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 58.5 mtm -94.12 3.2 55.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.899 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.42 -55.82 0.28 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 61.21 112.457 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -74.65 115.98 14.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 73.43 110.871 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -75.74 -39.31 57.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 51.41 110.856 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -34.22 75.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 61.43 110.89 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -84.72 -52.94 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 74.01 110.976 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -51.64 -35.3 41.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 74.21 111.135 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -56.44 -39.65 73.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 62.42 110.868 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.64 -18.76 30.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.34 111.092 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.448 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.89 -57.65 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 63.11 111.085 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.82 -29.08 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.942 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.74 -29.69 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 51.24 111.121 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -62.19 -55.35 29.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 74.53 110.921 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.651 ' CH2' HD13 ' A' ' 31' ' ' LEU . 8.3 m0 -47.17 -55.17 8.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 73.03 110.879 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -51.15 -41.23 59.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 73.21 110.952 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -31.93 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 63.43 110.845 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.42 24.98 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 72.54 110.878 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 51.39 54.18 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.828 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.675 HG21 HD11 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -76.84 157.74 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 61.03 111.144 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.8 t -114.67 143.97 44.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 70.12 111.123 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.11 -43.0 66.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 70.31 110.893 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -58.24 -24.15 58.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 71.4 110.907 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -65.97 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.937 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.68 HG21 ' CE1' ' A' ' 75' ' ' TYR . 44.6 mm -53.2 -39.17 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.127 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -57.04 -57.39 12.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 51.13 110.865 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.2 m -56.73 -20.55 22.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 63.43 111.124 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.673 ' HA ' HD23 ' A' ' 61' ' ' LEU . 15.9 t80 -85.92 -65.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 62.3 110.862 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.65 HD12 ' CG2' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -56.78 -48.07 78.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 65.44 110.906 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -50.56 -52.03 42.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 62.15 110.874 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.71 HD21 ' CB ' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -54.55 -25.46 26.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 74.23 110.889 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.584 ' CB ' ' HB3' ' A' ' 28' ' ' ALA . . . -84.63 -47.95 10.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 74.34 111.137 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.9 -74.48 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 75.33 110.851 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -168.98 -179.5 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 64.34 110.905 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.2 23.82 5.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 72.45 110.869 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.7 p -105.28 43.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 74.13 111.146 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 63.56 16.67 9.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.917 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 51.73 84.71 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.67 -0.776 . . . . 44.44 112.489 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.73 -58.73 5.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 55.33 111.058 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -70.54 -15.09 62.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 74.23 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.503 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -64.36 -31.72 73.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 73.32 110.936 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.7 -13.9 55.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 74.51 110.879 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -73.24 -63.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.884 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -24.02 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.32 111.1 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.68 ' CE1' HG21 ' A' ' 55' ' ' ILE . 39.1 t80 -85.45 -22.81 28.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.942 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -50.41 -30.67 12.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 72.3 110.862 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 m -54.49 -28.82 47.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 61.22 110.885 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -84.34 -57.88 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.873 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.3 mtt -50.12 -33.54 19.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 74.33 110.873 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 21.1 ptp -79.8 -34.48 39.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 73.12 110.876 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -53.65 -60.88 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 61.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.3 mp -78.64 -33.56 47.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 51.34 110.938 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.04 38.0 9.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 73.21 112.49 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.594 ' H ' HD23 ' A' ' 84' ' ' LEU . 1.6 pt? -108.34 25.2 11.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 75.03 110.93 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.0 t -62.12 167.07 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 72.54 111.169 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.92 37.75 0.25 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 75.3 112.491 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -112.83 156.51 22.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 72.13 110.92 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 62.81 160.58 0.12 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.625 0.726 . . . . 74.12 110.889 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 147.01 61.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 74.21 112.341 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -102.13 75.61 1.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 71.43 110.904 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.8 t -92.54 -51.77 4.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 52.25 110.856 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.7 t -157.88 170.26 22.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 70.34 110.827 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.3 m -161.15 -173.85 4.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 61.34 110.805 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.0 p -170.79 129.05 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 72.24 111.099 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -126.56 27.49 6.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 72.54 110.866 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -74.41 -32.7 62.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 65.42 110.876 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 98' ' ' ALA . 2.5 pp -85.03 -17.22 38.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 75.25 110.931 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.674 ' N ' HD12 ' A' ' 97' ' ' LEU . . . -53.43 -53.55 49.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 71.34 111.096 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.14 115.27 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.51 111.092 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.36 170.45 21.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 74.24 111.099 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -96.65 124.02 40.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 61.3 110.889 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 71.2 110.885 179.896 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.131 0 CA-C-O 120.783 0.243 . . . . 64.41 112.348 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.2 m120 59.04 43.76 17.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 74.14 110.913 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -81.18 101.3 9.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 55.51 110.924 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -138.67 166.77 23.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 72.03 110.886 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.401 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -142.07 164.3 30.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 40.14 110.893 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -134.37 149.98 50.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 60.4 111.086 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 p -172.73 179.54 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 63.41 110.838 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.488 ' O ' HD12 ' A' ' 8' ' ' LEU . 3.6 pp -110.22 26.74 10.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.51 . . . . 51.53 110.91 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -94.7 87.94 5.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 64.02 110.898 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -106.7 13.86 27.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 71.04 110.893 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -111.38 29.96 7.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 71.04 110.874 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mmt -106.27 -39.89 5.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.898 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.433 ' CE2' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -138.22 -70.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 75.33 110.894 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.434 ' CG ' ' HB3' ' A' ' 17' ' ' ALA . 10.7 t-20 47.26 61.22 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.34 110.882 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.584 ' HA ' HD23 ' A' ' 18' ' ' LEU . 10.0 t -58.09 -26.86 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 64.21 111.092 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.71 -7.73 58.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 70.13 111.042 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.434 ' HB3' ' CG ' ' A' ' 14' ' ' ASN . . . -119.24 -14.8 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 65.32 111.127 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 19' ' ' THR . 0.3 OUTLIER -95.41 150.4 20.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 70.35 110.886 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.665 ' N ' HD12 ' A' ' 18' ' ' LEU . 31.8 p -141.61 -172.68 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 42.45 111.164 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.7 mttp 70.88 140.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 65.34 110.895 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.541 ' HA ' HD13 ' A' ' 61' ' ' LEU . 6.4 ttt-85 -74.44 -33.1 62.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.904 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.03 -60.41 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 72.14 111.091 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -58.67 -39.19 79.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.34 110.86 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.604 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -67.48 -51.94 45.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 71.22 111.087 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.84 -29.34 54.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 73.44 110.908 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -73.31 -30.47 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 74.15 110.88 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 mt -87.09 -30.38 21.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 74.42 110.902 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . . . -78.99 -25.13 43.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.33 111.121 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -21.84 64.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.865 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -103.02 -22.95 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 63.32 110.929 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.681 HD13 ' CH2' ' A' ' 45' ' ' TRP . 29.4 mt -80.99 -2.57 48.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 70.34 110.931 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 34.3 mtm -118.89 -32.47 4.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 65.33 110.9 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.51 -20.28 64.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.746 . . . . 72.02 112.495 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -116.41 112.99 22.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 63.14 110.893 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -78.57 -21.9 47.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 53.21 110.856 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -69.0 -42.13 76.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 71.34 110.876 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.3 tp -83.08 -47.36 11.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 64.54 110.947 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.83 -31.68 28.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 45.32 111.083 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.94 -41.58 83.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 52.24 110.87 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.18 -17.48 34.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 65.41 111.084 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.81 -57.68 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 70.12 111.116 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.422 ' CE2' HD12 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -52.31 -28.29 18.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 73.22 110.946 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.422 HD12 ' CE2' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -86.01 -30.33 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 72.14 111.178 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -63.76 -53.96 42.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 72.54 110.883 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.681 ' CH2' HD13 ' A' ' 31' ' ' LEU . 9.8 m0 -47.22 -54.98 9.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 72.41 110.879 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -51.2 -38.17 50.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 75.32 110.912 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -55.34 -32.54 62.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.855 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -96.93 25.78 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 72.24 110.894 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 51.71 55.01 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 75.22 110.855 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.59 HG21 HD11 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -77.35 152.11 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 70.32 111.168 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 t -108.27 145.41 34.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.42 111.129 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -54.93 -43.14 73.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 62.34 110.922 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.46 -23.12 47.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 72.42 110.822 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -83.18 -65.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 63.33 110.897 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.681 HG21 ' CE1' ' A' ' 75' ' ' TYR . 46.8 mm -54.91 -43.1 66.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 52.42 111.095 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -57.54 -28.45 63.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 75.42 110.841 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.7 m -86.76 -19.45 29.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 75.53 111.14 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.7 ' HA ' HD23 ' A' ' 61' ' ' LEU . 3.8 t80 -85.8 -45.48 11.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.2 110.873 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.626 HD13 ' HD1' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -74.0 -49.38 24.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.89 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -50.39 -48.49 55.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 64.24 110.92 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.7 HD23 ' HA ' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -51.58 -28.11 13.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 71.14 110.893 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . -83.54 -35.72 24.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 72.05 111.076 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.2 m -94.89 -171.76 2.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 54.54 110.932 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -58.01 -179.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 75.25 110.875 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -100.34 36.05 1.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.906 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.7 p -105.66 46.52 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 63.2 111.149 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 58.55 24.04 11.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 75.43 110.903 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 53.53 81.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.745 . . . . 45.25 112.504 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.32 -58.44 4.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 74.54 111.093 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -10.86 60.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 74.13 110.872 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.626 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -66.07 -34.93 79.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 72.13 110.879 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -80.86 -12.88 59.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 62.14 110.866 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.8 -63.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 72.22 110.906 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.37 -20.99 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 72.22 111.109 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.681 ' CE1' HG21 ' A' ' 55' ' ' ILE . 39.1 t80 -84.74 -22.52 29.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.12 110.929 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -50.52 -28.79 9.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 61.34 110.891 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -51.91 -30.67 25.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 72.43 110.85 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -86.94 -61.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.92 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.6 -31.34 10.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.889 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.7 tpt -76.69 -46.32 26.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 74.32 110.818 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -53.16 -63.01 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.879 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.88 -30.23 70.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 74.41 110.94 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 67.46 35.8 87.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 71.31 112.486 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 pp -111.23 30.36 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 74.32 110.903 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.3 t -77.09 179.21 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 53.41 111.149 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.2 -15.13 1.3 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 55.25 112.476 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -52.76 -62.24 1.77 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.906 0.384 . . . . 74.35 110.923 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -168.03 72.52 0.89 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.665 0.745 . . . . 74.31 110.857 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 166.68 26.74 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.24 . . . . 62.34 112.349 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -134.79 162.72 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 72.45 110.917 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.0 t -76.84 81.16 3.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 64.23 110.874 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.0 t -66.48 141.26 57.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.827 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.9 m -131.87 37.68 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 74.41 110.91 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.548 HG12 ' H ' ' A' ' 96' ' ' LYS . 29.8 t -128.98 136.92 58.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 74.24 111.129 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -125.32 35.82 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 73.25 110.885 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.548 ' H ' HG12 ' A' ' 94' ' ' VAL . 23.6 mtpp -80.0 -38.94 31.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 63.13 110.921 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.479 ' H ' HD23 ' A' ' 97' ' ' LEU . 1.5 pt? -58.45 -25.63 62.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.94 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.77 -37.28 84.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 44.23 111.093 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.97 50.19 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 73.51 111.095 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -104.48 154.01 20.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 71.01 111.083 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.5 tp -116.61 126.91 53.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 75.24 110.931 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.85 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.138 0 CA-C-O 120.771 0.238 . . . . 72.34 112.303 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 59.85 41.52 17.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 72.42 110.859 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -93.48 179.61 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 70.34 110.89 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -124.79 141.58 52.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 54.35 110.926 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 7' ' ' SER . 0.2 OUTLIER -110.0 -43.42 3.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 74.02 110.926 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.92 25.09 8.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 43.42 111.135 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.626 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -179.34 -177.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 72.51 110.834 -179.767 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.58 ' H ' HD23 ' A' ' 8' ' ' LEU . 1.6 pt? -115.66 155.88 26.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 74.03 110.921 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -153.2 107.33 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.864 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -118.42 9.38 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 74.33 110.922 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -109.75 24.66 12.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 70.43 110.881 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 21.5 mmt -97.5 -38.06 9.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 60.13 110.879 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -138.15 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 65.03 110.899 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.73 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 5.4 p30 40.7 66.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 64.31 110.887 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.425 HG13 ' HB2' ' A' ' 58' ' ' PHE . 7.1 t -65.53 -28.35 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 72.01 111.099 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.0 -8.36 59.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.11 111.11 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.73 ' HB3' ' HB2' ' A' ' 14' ' ' ASN . . . -114.74 -12.75 12.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 70.52 111.098 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.749 HD22 HD13 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -102.8 136.87 41.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 64.43 110.925 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.8 p -142.96 121.73 12.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 52.33 111.109 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.12 160.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 62.41 110.852 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -76.69 -67.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 73.23 110.838 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.89 -46.85 14.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 74.45 111.111 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.412 ' O ' HD12 ' A' ' 27' ' ' LEU . 1.1 t0 -48.4 -32.85 8.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 71.41 110.885 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.686 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -77.32 -40.04 45.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 61.42 111.142 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -37.38 87.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 62.14 110.907 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -62.54 -57.85 9.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 75.45 110.884 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.749 HD13 HD22 ' A' ' 18' ' ' LEU . 3.8 mt -51.84 -30.74 24.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.897 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 58' ' ' PHE . . . -79.29 -37.17 38.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.117 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.73 -60.13 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.884 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -53.87 -33.14 55.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 64.21 110.902 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.553 HD13 ' CH2' ' A' ' 45' ' ' TRP . 92.1 mt -74.41 -28.36 61.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.926 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.465 ' SD ' HD23 ' A' ' 59' ' ' LEU . 67.4 mtp -96.82 4.49 51.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.43 110.862 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.53 -21.94 4.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 24.44 112.469 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -124.74 118.55 26.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.328 . . . . 71.02 110.946 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -78.3 -23.3 47.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 64.34 110.861 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -67.02 -38.8 86.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 61.34 110.878 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.9 tp -85.32 -47.04 10.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 53.04 110.884 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -51.78 -32.6 31.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 64.01 111.095 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -56.41 -40.79 75.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.897 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.4 -18.13 32.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 65.44 111.148 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.486 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -79.88 -58.05 3.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 62.34 111.119 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -29.05 15.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 75.51 110.903 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.37 -32.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 73.42 111.111 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -62.04 -51.1 69.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 75.25 110.909 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.553 ' CH2' HD13 ' A' ' 31' ' ' LEU . 9.4 m0 -49.5 -51.86 33.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 73.32 110.903 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.04 -30.47 61.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 73.52 110.864 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -59.79 -25.48 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 73.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -107.5 25.82 11.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 72.24 110.896 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 51.75 51.53 16.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 63.33 110.856 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.615 HG21 HD11 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -70.49 147.34 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 52.45 111.184 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 t -104.65 143.59 32.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 72.22 111.147 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -53.0 -44.54 67.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 73.55 110.916 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -55.61 -24.91 35.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 63.02 110.896 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.39 -66.67 0.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.932 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.694 HG21 ' CE1' ' A' ' 75' ' ' TYR . 44.7 mm -52.32 -40.32 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.24 111.181 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -56.17 -56.27 22.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 55.1 110.854 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.4 m -57.9 -19.92 33.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 75.31 111.092 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.667 ' HA ' HD23 ' A' ' 61' ' ' LEU . 15.3 t80 -85.93 -62.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 61.42 110.902 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.629 HD12 ' CG2' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -59.7 -47.17 86.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 74.32 110.895 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -51.02 -51.0 57.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 63.43 110.909 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.686 HD21 ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -54.24 -25.25 22.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 64.05 110.912 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . -79.59 -51.01 9.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 74.12 111.063 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -70.7 170.91 11.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 55.23 110.831 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -121.89 57.09 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.914 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.617 ' HD2' ' HB2' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -146.49 170.15 17.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 73.03 110.871 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.27 123.41 26.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.185 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.95 19.43 11.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 71.02 110.949 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 53.78 90.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.698 -0.763 . . . . 73.14 112.548 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.617 ' HB2' ' HD2' ' A' ' 65' ' ' LYS . . . -65.32 -58.67 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 33.41 111.106 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -71.77 -9.88 58.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 62.45 110.898 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.472 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -68.5 -35.53 77.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 75.02 110.954 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -82.68 -13.88 55.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 70.21 110.89 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -67.98 -63.31 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.915 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -21.2 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 73.2 111.174 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.694 ' CE1' HG21 ' A' ' 55' ' ' ILE . 42.5 t80 -85.38 -22.41 28.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 74.35 110.92 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -50.36 -30.38 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.889 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 t -54.43 -28.91 47.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 65.21 110.876 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -86.47 -61.64 1.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.118 -0.492 . . . . 64.44 110.946 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 43.7 mtp -51.17 -30.47 16.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 75.11 110.899 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.9 ttt -75.5 -45.13 40.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 72.04 110.902 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -52.51 -58.07 7.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 75.03 110.871 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.501 ' HB3' HD23 ' A' ' 84' ' ' LEU . 8.5 mp -73.52 -31.53 63.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 70.31 110.896 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.04 30.12 55.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 75.1 112.511 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.508 ' O ' HD12 ' A' ' 84' ' ' LEU . 3.4 pp -100.49 26.75 6.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.917 0.389 . . . . 64.15 110.908 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.6 t -61.96 167.43 3.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 63.42 111.131 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 132.94 42.33 0.17 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 63.34 112.509 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -112.12 27.72 9.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.866 0.365 . . . . 60.43 110.89 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 51.65 69.36 2.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.643 0.735 . . . . 71.52 110.878 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 150.07 67.81 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 73.32 112.345 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -76.91 138.57 39.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.886 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 t -99.61 -28.21 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 65.11 110.877 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.6 t -59.67 120.64 9.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 73.14 110.88 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.3 m -151.34 174.89 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 63.31 110.817 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.436 HG21 HD12 ' A' ' 97' ' ' LEU . 24.2 m -135.1 147.22 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 43.13 111.118 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -115.31 -27.63 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 72.13 110.874 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -55.14 -37.85 67.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 63.05 110.871 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.436 HD12 HG21 ' A' ' 94' ' ' VAL . 9.2 mt -79.14 -52.95 7.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 72.3 110.919 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.9 -44.57 63.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 74.13 111.074 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 100' ' ' ALA . . . -81.28 -24.76 37.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 65.14 111.143 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 99' ' ' ALA . . . 66.87 11.47 8.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 52.51 111.092 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.13 111.83 8.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 74.14 110.918 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 75.32 110.881 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.138 0 CA-C-O 120.764 0.235 . . . . 74.31 112.335 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -118.17 41.82 2.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 73.31 110.837 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -115.31 28.16 8.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 72.13 110.894 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -139.93 129.09 23.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 65.24 110.889 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -96.73 -53.64 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 62.04 110.893 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.12 124.63 49.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 64.45 111.129 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -170.03 133.95 1.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 72.51 110.834 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.496 ' H ' HD23 ' A' ' 8' ' ' LEU . 2.2 pt? -135.91 133.45 37.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 74.2 110.933 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -124.98 94.95 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 72.1 110.87 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -114.32 14.22 17.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 75.44 110.953 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -115.61 29.71 7.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 71.25 110.899 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.9 mmt -101.44 -41.88 6.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 73.15 110.899 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.538 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -137.51 -73.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 64.34 110.903 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 48.29 66.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 54.23 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.928 HG21 HD13 ' A' ' 55' ' ' ILE . 16.8 m -59.53 -18.55 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 71.22 111.105 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.48 -8.78 57.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 62.11 111.099 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.04 -22.76 7.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 75.53 111.139 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -91.28 133.93 35.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 72.0 110.919 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.9 p -142.61 122.48 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 65.33 111.129 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.28 152.56 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 75.32 110.881 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -76.46 -67.7 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 63.32 110.842 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.77 -47.89 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 72.41 111.123 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -48.45 21.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 71.4 110.869 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.608 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -63.41 -42.55 98.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.3 111.103 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.51 -27.99 51.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 64.21 110.848 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -77.19 -49.84 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 73.41 110.884 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -51.25 -37.21 45.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 70.4 110.904 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.667 ' HB2' ' CZ ' ' A' ' 58' ' ' PHE . . . -79.16 -28.27 42.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.069 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -51.99 -60.8 2.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 65.14 110.93 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -61.4 -28.38 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 75.01 110.882 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.621 HD13 ' HH2' ' A' ' 45' ' ' TRP . 58.6 mt -75.68 -19.69 58.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 60.22 110.945 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.0 mtm -95.68 -22.66 17.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 62.55 110.849 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.2 -46.78 2.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 52.23 112.479 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -80.11 109.69 14.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 51.05 110.893 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -72.57 -51.14 21.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 62.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -29.26 31.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.937 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.5 tp -85.61 -49.07 8.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 65.03 110.888 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -57.51 -26.18 60.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 62.35 111.109 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.44 -40.38 90.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 70.42 110.869 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.78 -19.65 28.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.44 111.105 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.465 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.77 -56.44 4.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 61.23 111.061 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.46 -30.1 18.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 62.25 110.892 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.86 -29.27 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 63.03 111.18 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -59.7 -59.27 5.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.892 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.621 ' HH2' HD13 ' A' ' 31' ' ' LEU . 5.9 m-90 -46.28 -55.64 6.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.253 -0.431 . . . . 72.52 110.867 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -50.81 -40.08 54.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.918 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -54.93 -32.79 61.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 75.52 110.901 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -95.47 25.06 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 75.31 110.879 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 51.71 51.81 15.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.876 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.2 151.8 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 75.41 111.152 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.9 t -105.99 143.91 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.188 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.3 -39.0 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 65.31 110.931 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -61.22 -21.44 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 64.42 110.891 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -83.27 -66.08 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 74.52 110.899 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.928 HD13 HG21 ' A' ' 15' ' ' VAL . 47.0 mm -54.51 -44.47 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 73.5 111.177 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -56.6 -23.66 42.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 73.0 110.901 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.8 m -87.08 -26.86 23.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 75.1 111.185 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.806 ' HA ' HD23 ' A' ' 61' ' ' LEU . 14.1 t80 -85.71 -64.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 71.33 110.854 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.747 HD12 ' CG2' ' A' ' 55' ' ' ILE . 2.3 mt -49.45 -51.65 34.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 64.42 110.969 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.69 -47.39 63.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 53.52 110.904 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.806 HD23 ' HA ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -54.44 -25.58 25.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 70.04 110.907 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.636 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . -77.53 -35.85 52.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 71.55 111.075 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -97.45 -171.19 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 75.14 110.875 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -61.14 -177.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 72.13 110.847 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -96.9 24.09 6.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 72.03 110.836 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -91.38 47.06 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.418 . . . . 74.13 111.175 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 59.48 21.45 9.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 64.54 110.956 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 53.01 84.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 43.42 112.505 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.54 -58.36 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.373 . . . . 73.34 111.114 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.58 -12.88 61.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 71.34 110.88 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.449 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -62.12 -35.5 78.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.901 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -81.85 -13.19 57.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.502 . . . . 70.02 110.935 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -63.54 1.04 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 72.11 110.913 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -21.84 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 72.44 111.167 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.696 ' CE1' HG21 ' A' ' 55' ' ' ILE . 34.7 t80 -85.12 -22.27 28.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 73.54 110.924 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -49.96 -30.01 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 73.12 110.905 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.6 m -53.53 -31.89 48.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 44.12 110.876 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.482 ' CZ ' HD22 ' A' ' 82' ' ' LEU . 25.8 t80 -86.5 -60.62 1.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 74.43 110.969 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.6 mmm -49.84 -31.82 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 62.03 110.884 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.2 ttt -75.98 -44.54 39.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 75.13 110.876 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -61.29 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 72.21 110.861 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.482 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 8.9 mp -68.34 -30.56 69.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.882 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.34 24.39 74.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 75.11 112.473 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -89.37 9.45 26.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 72.02 110.938 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -58.89 170.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 74.11 111.108 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.26 33.28 0.73 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 72.54 112.477 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -96.81 -53.87 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 74.01 110.891 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -117.65 157.56 47.55 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.595 0.712 . . . . 74.34 110.927 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 137.03 34.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 73.23 112.345 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -103.77 178.12 4.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 74.35 110.907 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 p -142.37 125.97 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 54.34 110.849 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.3 m -83.74 165.03 19.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 72.15 110.827 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.2 p -170.74 179.84 3.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 34.3 110.839 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.0 m -135.16 145.44 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 74.01 111.133 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -131.55 29.62 4.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.89 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -31.63 71.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.13 110.873 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.401 ' H ' HD12 ' A' ' 97' ' ' LEU . 5.1 mp -80.76 -28.34 36.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 70.2 110.913 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.85 -34.46 69.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.55 111.094 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -92.0 142.97 26.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 73.41 111.05 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.523 ' C ' HD12 ' A' ' 101' ' ' LEU . . . -171.63 159.0 5.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 75.13 111.094 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.523 HD12 ' C ' ' A' ' 100' ' ' ALA . 5.4 mp -138.97 163.95 31.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 64.14 110.873 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 61.02 110.916 179.903 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 N--CA 1.465 -0.164 0 CA-C-O 120.8 0.25 . . . . 71.44 112.384 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 63.19 53.83 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 53.4 110.902 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -108.27 169.5 8.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 62.53 110.853 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.4 t30 59.08 31.69 21.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 73.43 110.911 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.6 mt -53.46 -31.64 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 71.54 110.893 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.72 25.05 14.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 70.45 111.088 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.71 172.34 1.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 72.34 110.837 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' H ' HD23 ' A' ' 8' ' ' LEU . 2.1 pt? -139.25 142.06 37.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 72.44 110.946 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -127.28 48.57 2.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.896 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -94.04 -6.21 45.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.874 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -107.38 21.32 17.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 64.53 110.883 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 85.9 mmm -84.95 -40.24 17.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.876 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.523 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -142.92 -73.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.846 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 48.15 66.04 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 73.32 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.888 HG21 HD13 ' A' ' 55' ' ' ILE . 13.9 m -59.4 -19.52 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 75.33 111.165 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.36 -8.92 58.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.12 111.14 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.52 -22.09 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 60.2 111.09 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.652 HD22 HD13 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -93.64 137.35 32.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 72.52 110.901 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.7 p -142.39 120.75 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 62.51 111.134 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 174.32 140.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 75.41 110.917 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -74.92 -44.76 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.839 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.76 -53.24 6.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 71.05 111.077 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -49.11 -55.49 12.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 71.35 110.886 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.783 ' HB3' HD11 ' A' ' 61' ' ' LEU . . . -52.29 -29.82 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 72.51 111.133 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -40.53 77.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.875 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -79.65 -30.49 41.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.903 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.652 HD13 HD22 ' A' ' 18' ' ' LEU . 33.6 mt -66.56 -53.54 33.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.907 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.673 ' HB2' ' CZ ' ' A' ' 58' ' ' PHE . . . -68.46 -25.03 64.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 73.55 111.032 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -50.93 -61.62 2.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 74.12 110.916 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -60.7 -26.63 67.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 73.12 110.891 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.611 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 77.6 mt -74.73 -26.17 59.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 71.4 110.91 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.8 mtp -94.77 4.99 53.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 65.12 110.898 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.02 -47.15 0.31 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 75.22 112.518 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -82.47 114.13 20.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 71.45 110.894 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -70.07 -48.87 56.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 74.25 110.917 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -24.19 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 50.51 110.892 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.2 tp -85.79 -56.07 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 63.12 110.929 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.611 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -55.21 -30.3 59.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 72.42 111.076 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.26 -40.72 86.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 61.04 110.907 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.76 -19.32 29.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 61.25 111.094 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.433 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.64 -56.07 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 73.01 111.101 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.79 -30.28 32.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.963 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.68 -25.05 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 70.04 111.134 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -66.34 -55.05 17.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 63.42 110.894 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.587 ' HH2' HD13 ' A' ' 31' ' ' LEU . 6.8 m0 -46.59 -54.77 8.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 74.04 110.914 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -51.92 -37.46 52.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 63.35 110.899 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -55.36 -34.56 64.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 70.01 110.888 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.72 22.69 6.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.897 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 54.81 52.7 11.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.848 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.02 149.18 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 74.33 111.098 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.3 t -106.15 144.51 32.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 54.55 111.135 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -53.07 -41.99 65.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.1 110.92 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.77 -22.47 47.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.83 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -83.18 -65.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 71.03 110.915 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.888 HD13 HG21 ' A' ' 15' ' ' VAL . 45.4 mm -55.63 -48.54 77.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.13 111.167 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -52.87 -27.08 16.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 74.43 110.857 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 70.2 m -87.14 -29.04 22.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 64.01 111.133 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' A' ' 28' ' ' ALA . 12.2 t80 -78.31 -62.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 71.25 110.869 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.711 HD12 ' CG2' ' A' ' 55' ' ' ILE . 1.1 mt -53.57 -49.93 66.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 63.42 110.927 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -50.06 -56.33 11.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 75.54 110.918 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.783 HD11 ' HB3' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -54.47 -24.91 22.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 71.34 110.942 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.608 ' CB ' ' HB3' ' A' ' 28' ' ' ALA . . . -85.58 -28.61 24.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.35 111.093 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.8 p -105.4 -170.35 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 73.34 110.846 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -52.19 167.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 73.42 110.828 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -97.48 28.67 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 64.12 110.868 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.7 p -104.74 58.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 61.24 111.158 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 58.31 21.97 8.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 74.13 110.924 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 51.8 80.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 74.34 112.526 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.9 -58.44 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 71.41 111.099 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -69.98 -10.75 59.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.922 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.504 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -65.19 -36.65 84.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.876 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -81.52 -13.44 58.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 72.14 110.856 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -68.52 -63.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 70.34 110.949 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.54 -21.88 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 64.14 111.156 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.711 ' CE1' HG21 ' A' ' 55' ' ' ILE . 37.2 t80 -85.19 -22.5 28.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 73.41 110.923 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -50.0 -31.11 11.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 73.44 110.879 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.9 m -53.91 -31.47 50.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 51.34 110.822 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -86.44 -61.13 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 72.1 110.932 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 56.9 mtp -49.53 -32.17 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 55.23 110.86 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.6 ttt -74.68 -41.48 60.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 72.21 110.881 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -57.83 -55.35 36.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 71.54 110.87 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.13 -30.31 70.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.904 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.46 30.28 58.64 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.755 -0.736 . . . . 52.21 112.475 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 pp -113.49 26.47 10.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 73.21 110.933 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.7 t -66.59 173.55 3.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 73.54 111.127 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 120.72 24.2 2.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 64.41 112.479 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -85.12 -57.44 3.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.897 0.38 . . . . 71.03 110.931 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -136.6 70.08 59.71 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.587 0.708 . . . . 73.13 110.833 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 154.59 67.65 Favored 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.688 2.259 . . . . 75.51 112.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.9 134.19 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 70.43 110.892 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 m -86.93 123.68 32.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 60.02 110.836 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.2 t -156.64 119.84 4.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 45.33 110.832 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.3 p -165.65 160.14 17.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 64.23 110.827 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 22.1 m -116.15 123.87 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 62.33 111.151 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -115.71 -28.36 6.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.826 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -55.91 -53.17 60.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 75.13 110.887 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -51.81 -44.63 63.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 72.11 110.888 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.05 -45.19 89.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 44.22 111.143 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.35 120.02 18.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.32 111.069 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -143.77 -177.42 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 73.05 111.084 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.3 pp -105.5 168.26 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.911 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 72.35 110.905 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.149 0 CA-C-O 120.747 0.228 . . . . 73.01 112.367 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -102.85 33.16 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.891 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -85.07 134.84 34.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 65.32 110.924 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -78.25 145.56 35.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 64.41 110.884 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.5 mt -71.04 -54.46 11.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 73.13 110.916 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.21 128.18 35.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 45.41 111.111 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.7 m -129.75 174.36 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 62.34 110.891 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.43 ' O ' HD12 ' A' ' 8' ' ' LEU . 4.3 pp -129.66 22.18 5.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 72.41 110.929 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.19 88.64 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 73.14 110.91 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -108.44 10.21 27.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 72.51 110.85 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -113.05 26.22 10.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 42.43 110.875 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mmt -99.49 -42.3 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 42.05 110.872 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.566 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -136.87 -73.15 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 71.14 110.914 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.49 61.61 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 72.12 110.904 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 t -58.34 -26.72 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 74.55 111.142 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.28 -8.06 58.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.04 111.098 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.68 -24.67 7.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 61.31 111.071 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.973 HD22 HD13 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -92.7 131.48 37.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 54.52 110.906 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 42.8 p -143.12 121.89 12.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 70.12 111.161 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tptt 178.95 162.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 74.14 110.934 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -76.77 -67.84 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 73.42 110.879 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.95 -47.65 13.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 65.12 111.063 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -47.71 -33.8 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 74.22 110.859 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.716 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -75.14 -48.36 24.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 45.12 111.084 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.25 -39.0 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.911 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -62.8 -26.17 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 70.21 110.894 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.973 HD13 HD22 ' A' ' 18' ' ' LEU . 22.2 mt -82.17 -45.64 14.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 74.21 110.904 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . . . -70.26 -25.19 63.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 73.03 111.103 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -54.32 -58.98 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 61.44 110.939 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -66.65 -30.36 70.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.896 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.697 HD13 ' CH2' ' A' ' 45' ' ' TRP . 43.0 mt -71.61 -21.06 61.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 71.53 110.915 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.406 ' HE3' ' HB2' ' A' ' 32' ' ' MET . 54.9 mtm -93.92 -21.67 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 75.45 110.926 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.03 -57.09 1.04 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 52.23 112.478 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -65.76 114.78 5.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 60.22 110.871 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -78.06 -48.95 14.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 64.12 110.875 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -28.02 64.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 54.51 110.929 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.2 tp -85.74 -56.14 3.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 63.31 110.881 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -51.64 -30.09 20.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 61.43 111.11 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -56.76 -40.76 76.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.876 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.44 -18.31 32.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 72.55 111.098 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.471 ' CB ' HD22 ' A' ' 31' ' ' LEU . . . -79.8 -57.1 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 60.1 111.087 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.84 -29.23 26.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.964 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.66 -26.29 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 74.12 111.086 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -67.31 -53.88 25.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 70.25 110.923 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.697 ' CH2' HD13 ' A' ' 31' ' ' LEU . 8.6 m0 -47.3 -54.46 10.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 75.21 110.925 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.92 -36.24 48.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 73.34 110.911 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -56.53 -34.03 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 65.43 110.889 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.11 25.83 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 73.55 110.832 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 51.62 51.48 16.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.858 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -72.66 158.06 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 51.13 111.095 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.1 t -115.97 143.82 44.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 73.4 111.174 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -52.35 -45.71 65.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.14 110.865 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.633 ' O ' HG23 ' A' ' 57' ' ' THR . 83.2 m-20 -55.5 -25.56 37.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 54.31 110.854 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -83.03 -66.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.913 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.694 HD11 HG21 ' A' ' 50' ' ' VAL . 46.3 mm -53.81 -27.66 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 70.15 111.137 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.74 -56.62 9.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 63.1 110.85 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 53' ' ' ASP . 44.4 p -57.85 -20.12 33.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 64.14 111.142 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.696 ' HA ' HD23 ' A' ' 61' ' ' LEU . 10.7 t80 -86.26 -61.3 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 64.42 110.845 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.651 HD12 HG22 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -61.06 -47.51 86.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.928 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.0 -50.39 58.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 71.24 110.893 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.716 HD21 ' HB1' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -53.84 -25.01 17.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 62.11 110.916 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . -80.9 -32.64 34.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 70.11 111.099 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 m -97.86 -179.33 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.86 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -57.95 163.01 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 73.3 110.895 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -81.97 59.53 4.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 71.01 110.891 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.8 m -135.15 48.97 2.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 53.22 111.149 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 61.9 18.84 10.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 62.33 110.894 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 53.13 89.75 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 60.31 112.476 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 92' ' ' SER . . . -69.31 -58.53 3.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 52.02 111.078 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -68.45 -14.75 63.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 73.33 110.877 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.506 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -62.05 -37.16 83.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 64.44 110.928 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -82.48 -13.91 55.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 60.1 110.875 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -63.23 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 63.1 110.904 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.403 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -70.59 -23.16 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.13 111.105 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.657 ' CE1' HG21 ' A' ' 55' ' ' ILE . 35.3 t80 -85.47 -22.41 28.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.931 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.41 -31.31 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 62.21 110.928 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 t -52.29 -30.5 28.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 64.01 110.838 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -86.43 -60.04 2.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.897 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 47.8 mtp -50.44 -31.21 14.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 72.44 110.895 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.2 tpt -77.8 -42.4 33.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.04 110.893 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -57.01 -62.59 1.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 72.22 110.873 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.32 -31.81 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.926 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 67.43 36.07 88.23 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.722 -0.751 . . . . 65.12 112.547 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.17 26.6 10.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.943 0.401 . . . . 61.03 110.95 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.0 t -67.09 157.11 34.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 74.35 111.133 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 162.75 46.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 73.34 112.455 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -113.06 -169.86 1.57 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.837 0.351 . . . . 63.2 110.928 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -54.72 137.42 63.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.733 . . . . 71.21 110.928 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 129.56 17.86 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 65.34 112.368 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -119.37 166.75 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 71.31 110.909 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.7 t -129.38 90.24 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 71.13 110.884 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.472 ' HB2' ' HB1' ' A' ' 69' ' ' ALA . 2.3 t -161.8 157.69 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 74.01 110.87 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.5 p -179.39 -175.53 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 64.12 110.843 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.416 ' O ' HD22 ' A' ' 97' ' ' LEU . 5.4 p -164.85 132.91 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 52.05 111.138 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -116.06 -22.91 8.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 72.43 110.86 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -53.51 -28.02 28.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 75.22 110.875 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.416 HD22 ' O ' ' A' ' 94' ' ' VAL . 2.3 pt? -55.96 -25.16 42.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 71.13 110.932 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.22 -33.01 72.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 43.22 111.067 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 62.82 28.5 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 74.32 111.098 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.64 137.12 58.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.42 111.068 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.2 mt -111.42 96.14 5.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.895 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 64.41 110.93 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.466 -0.096 0 CA-C-O 120.806 0.253 . . . . 71.44 112.335 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -118.18 29.9 7.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 55.34 110.898 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -95.06 92.64 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 64.54 110.849 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -119.54 82.05 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.953 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.24 35.45 3.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.913 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -121.59 169.16 10.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 45.42 111.096 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 p -93.93 168.34 11.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 61.02 110.822 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 tt -115.96 92.87 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 55.12 110.941 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -87.39 98.97 11.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.21 110.936 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -118.53 18.31 13.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.1 110.9 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -113.94 22.57 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 53.24 110.905 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 21.0 mmt -100.0 -38.9 8.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 73.02 110.922 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -138.88 -66.93 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.836 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.73 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 5.4 p30 40.71 66.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.888 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.411 ' HA ' HD23 ' A' ' 18' ' ' LEU . 5.6 t -66.08 -29.19 46.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 73.33 111.134 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.97 -8.39 59.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 60.41 111.093 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.73 ' HB3' ' HB2' ' A' ' 14' ' ' ASN . . . -114.43 -13.14 12.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 65.35 111.092 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.566 HD22 HD13 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -102.85 138.54 39.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 71.42 110.936 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.2 p -142.75 121.72 12.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 71.32 111.133 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 177.6 155.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 63.41 110.906 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -76.23 -67.75 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 51.41 110.847 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.71 -46.74 15.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 71.12 111.113 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -48.78 -32.03 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 64.34 110.849 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.724 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -68.41 -53.96 20.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 65.21 111.068 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.628 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 0.5 OUTLIER -56.03 -29.53 60.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 52.32 110.865 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -59.01 -35.0 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.944 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.566 HD13 HD22 ' A' ' 18' ' ' LEU . 4.7 mt -87.14 -40.51 14.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.922 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 58' ' ' PHE . . . -65.61 -25.44 67.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 74.22 111.077 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -61.63 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.938 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -58.86 -32.02 69.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 71.32 110.9 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.663 HD13 ' CH2' ' A' ' 45' ' ' TRP . 54.9 mt -71.37 -25.15 62.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.948 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.0 mtm -97.38 2.86 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 64.55 110.834 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.19 -43.38 0.66 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 63.32 112.513 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -86.51 112.01 21.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.337 . . . . 70.4 110.915 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -72.1 -29.95 64.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 72.25 110.885 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -37.19 62.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 65.45 110.905 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.1 tp -77.69 -52.02 9.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 73.42 110.918 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -52.79 -34.47 53.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 65.31 111.073 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.35 -40.71 71.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.823 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.17 -18.2 32.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 75.01 111.116 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.48 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -79.79 -57.75 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 70.04 111.096 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -52.31 -28.94 21.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 72.24 110.92 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -86.57 -28.67 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 73.45 111.141 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -67.14 -49.94 63.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 65.24 110.923 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.663 ' CH2' HD13 ' A' ' 31' ' ' LEU . 9.1 m0 -49.37 -55.56 12.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 73.41 110.919 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.41 -33.6 54.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 72.42 110.895 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -57.17 -29.23 63.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 74.2 110.828 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -101.08 25.38 8.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 73.53 110.881 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 52.64 49.19 20.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.851 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.618 HG21 HD11 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -69.79 157.48 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 72.01 111.144 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.476 HG23 ' H ' ' A' ' 54' ' ' GLN . 8.9 t -115.51 143.7 44.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 75.12 111.147 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.66 -45.28 66.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 71.15 110.887 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -55.27 -25.45 33.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 64.44 110.876 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.476 ' H ' HG23 ' A' ' 51' ' ' THR . 1.7 tp60 -83.23 -66.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.946 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.675 HG21 ' CE1' ' A' ' 75' ' ' TYR . 45.1 mm -52.54 -41.99 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 62.45 111.106 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -55.67 -55.98 25.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 64.01 110.879 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 46.5 m -58.19 -19.79 36.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 62.23 111.163 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.676 ' HA ' HD23 ' A' ' 61' ' ' LEU . 10.1 t80 -85.98 -61.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.902 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.564 HD12 ' CG2' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -61.4 -47.25 86.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 71.32 110.862 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -51.05 -49.15 61.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 74.25 110.888 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.724 HD21 ' HB1' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -54.25 -24.97 20.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 72.13 110.91 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.628 ' HB2' ' HA ' ' A' ' 25' ' ' LYS . . . -96.98 -20.11 18.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 71.31 111.082 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 t -90.85 -169.28 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.809 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -92.45 -167.72 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 71.13 110.868 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.547 ' CG ' HG23 ' A' ' 66' ' ' THR . 4.7 pttt -60.77 -167.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 73.15 110.908 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.547 HG23 ' CG ' ' A' ' 65' ' ' LYS . 1.5 p 59.6 28.41 17.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 65.4 111.128 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 58.79 48.48 11.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 60.03 110.93 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.19 97.25 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 63.21 112.502 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.49 -58.34 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 30.33 111.073 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -68.82 -11.74 60.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.13 110.911 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.471 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -64.58 -34.42 78.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 71.24 110.888 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -82.62 -14.13 55.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 63.43 110.929 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -69.21 -63.24 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 72.4 110.887 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -21.91 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 74.22 111.156 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.675 ' CE1' HG21 ' A' ' 55' ' ' ILE . 40.0 t80 -85.71 -22.84 27.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 75.35 110.919 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -49.4 -32.19 11.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 70.54 110.878 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.5 m -53.18 -34.73 58.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 70.13 110.869 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -78.84 -59.74 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 71.15 110.897 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.5 mtm -50.6 -30.89 14.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 54.42 110.834 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.9 mmm -76.37 -51.19 12.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 65.34 110.845 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -52.21 -46.31 65.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 70.33 110.845 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -71.91 -32.74 67.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 73.4 110.917 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.96 34.26 34.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 72.23 112.467 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.0 pp -123.91 27.77 7.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.885 0.374 . . . . 74.25 110.869 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.9 t -65.88 167.57 9.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 73.41 111.16 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.24 39.39 0.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 64.02 112.509 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -96.66 38.19 1.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 74.32 110.947 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 59.3 84.31 0.2 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.645 0.736 . . . . 74.44 110.883 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 172.53 12.45 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.655 2.237 . . . . 53.53 112.401 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -91.29 163.0 14.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 73.52 110.863 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.6 p -112.51 -32.23 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 62.24 110.841 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.6 t -62.11 153.7 29.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 72.01 110.851 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.4 p -162.45 179.08 8.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 72.33 110.858 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.404 ' HB ' HD13 ' A' ' 97' ' ' LEU . 35.7 m -135.23 133.44 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 65.32 111.171 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -112.23 -35.97 5.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 61.23 110.85 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.479 ' HG3' HD12 ' A' ' 97' ' ' LEU . 10.2 ptpp? -57.6 -36.34 71.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 73.53 110.907 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.479 HD12 ' HG3' ' A' ' 96' ' ' LYS . 3.9 mp -66.67 -38.85 87.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 35.34 110.899 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.17 -35.08 47.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.5 111.048 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.61 169.74 14.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 41.54 111.066 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -134.76 143.3 47.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.1 111.104 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.9 mt 59.03 53.35 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 75.31 110.923 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 64.41 110.864 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.117 0 CA-C-O 120.774 0.239 . . . . 62.14 112.343 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.2 m120 55.64 44.35 26.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 75.34 110.882 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -79.98 66.89 5.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 63.2 110.88 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -142.52 137.13 29.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 63.53 110.885 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mp -88.02 77.79 8.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 71.1 110.939 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -166.91 126.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 51.1 111.087 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.6 m -117.67 -174.99 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 55.11 110.89 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.604 ' H ' HD23 ' A' ' 8' ' ' LEU . 1.8 pt? -111.59 28.36 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 74.4 110.934 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -90.36 47.13 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 70.22 110.854 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -102.63 6.52 39.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 72.44 110.901 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.69 35.92 4.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 63.02 110.914 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.9 mmm -107.11 -38.33 6.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 71.43 110.826 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.542 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -142.97 -74.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 72.41 110.861 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 48.2 66.4 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 73.55 110.872 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.881 HG21 HD13 ' A' ' 55' ' ' ILE . 15.0 m -59.5 -18.9 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 53.42 111.119 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.23 -8.86 57.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 40.44 111.118 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.37 -23.14 7.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 73.42 111.069 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.851 HD22 HD13 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -91.47 134.78 34.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 74.12 110.913 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -142.32 122.12 13.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 71.12 111.181 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 178.85 154.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.24 110.868 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -76.43 -67.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 73.03 110.862 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.85 -47.46 13.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 63.32 111.099 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.64 -33.99 7.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 71.53 110.903 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.753 ' HB1' HD21 ' A' ' 61' ' ' LEU . . . -76.94 -40.93 45.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 34.41 111.11 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -28.57 69.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 72.22 110.845 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -78.73 -28.1 44.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 75.33 110.905 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.851 HD13 HD22 ' A' ' 18' ' ' LEU . 19.8 mt -70.08 -46.57 64.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 74.23 110.882 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.73 ' HB3' ' HB2' ' A' ' 62' ' ' ALA . . . -73.98 -25.32 59.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 74.43 111.117 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -51.22 -54.57 24.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 62.42 110.879 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -69.14 -31.4 70.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.55 110.945 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.623 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 69.5 mt -68.49 -25.52 65.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 75.34 110.941 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.7 mtp -96.82 -17.83 19.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 55.32 110.883 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.89 -37.15 6.46 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 64.22 112.485 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -104.81 117.87 35.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.815 0.34 . . . . 50.44 110.915 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -78.42 -22.89 47.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 71.32 110.859 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -43.45 78.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 65.51 110.922 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.2 tp -77.89 -46.24 21.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 64.22 110.957 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 31' ' ' LEU . . . -54.62 -26.72 34.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 45.11 111.166 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.3 -42.99 96.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 60.34 110.859 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.59 -21.56 26.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 70.11 111.11 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.435 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -77.01 -56.43 4.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 60.12 111.144 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.47 -31.12 22.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.921 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.4 -27.97 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.54 111.157 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -62.08 -54.85 35.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 63.31 110.908 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.613 ' HH2' HD13 ' A' ' 31' ' ' LEU . 6.7 m0 -47.67 -53.84 13.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.944 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -53.36 -34.78 58.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 71.34 110.962 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -57.89 -33.14 68.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.863 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.71 25.42 5.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.13 110.866 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 51.87 54.86 10.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.86 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.93 147.76 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 71.15 111.154 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.5 t -105.0 144.8 31.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.35 111.155 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -53.02 -43.03 66.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.911 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -56.69 -22.46 35.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 71.34 110.88 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -83.53 -65.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 62.22 110.893 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.881 HD13 HG21 ' A' ' 15' ' ' VAL . 39.3 mm -56.02 -47.25 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 72.54 111.148 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -54.48 -25.44 25.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 74.41 110.842 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.7 m -87.48 -25.95 23.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 74.41 111.12 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.812 ' HA ' HD23 ' A' ' 61' ' ' LEU . 11.8 t80 -85.67 -63.84 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.75 HD12 ' CG2' ' A' ' 55' ' ' ILE . 1.2 mt -51.05 -51.07 56.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 71.32 110.909 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -51.44 -49.35 61.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 64.31 110.916 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.812 HD23 ' HA ' ' A' ' 58' ' ' PHE . 0.3 OUTLIER -54.85 -25.16 26.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 61.22 110.932 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.73 ' HB2' ' HB3' ' A' ' 28' ' ' ALA . . . -71.97 -29.5 64.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 73.0 111.119 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.0 t -99.05 -62.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.881 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 59.05 64.81 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 74.43 110.862 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -138.59 -67.08 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 74.03 110.906 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.1 m -135.65 69.19 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 73.43 111.151 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 52.4 29.46 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 61.31 110.932 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.04 80.65 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 73.35 112.496 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.4 -58.67 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.81 0.338 . . . . 73.51 111.044 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -14.07 61.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 72.5 110.923 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.493 ' HD1' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -60.41 -35.18 75.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.896 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -81.87 -13.56 57.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 71.54 110.888 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -70.28 -63.31 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 42.45 110.927 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -22.1 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 72.41 111.116 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.705 ' CE1' HG21 ' A' ' 55' ' ' ILE . 34.8 t80 -85.27 -23.25 28.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 74.12 110.931 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -50.97 -30.87 16.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 72.21 110.864 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.2 m -54.73 -29.4 53.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.05 110.883 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -86.32 -60.89 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 75.54 110.905 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.659 ' CB ' HG23 ' A' ' 85' ' ' THR . 56.1 mtm -50.84 -35.07 30.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 71.02 110.859 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.6 ttt -70.7 -41.98 71.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 70.21 110.85 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -22.88 61.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 65.25 110.875 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.685 ' HB3' HD22 ' A' ' 84' ' ' LEU . 3.5 mm? -83.99 -34.15 24.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.898 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.61 38.96 11.22 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 62.01 112.492 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.685 HD22 ' HB3' ' A' ' 82' ' ' LEU . 1.2 pt? -138.92 8.96 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 72.02 110.947 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.659 HG23 ' CB ' ' A' ' 79' ' ' MET . 0.2 OUTLIER -58.75 162.48 3.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 64.42 111.148 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 124.61 31.25 0.91 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 62.22 112.475 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -78.41 -63.78 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 75.3 110.905 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -148.17 72.56 11.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 73.24 110.928 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 145.42 57.29 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 73.45 112.354 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -123.7 171.96 9.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 73.13 110.894 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.3 p -75.25 106.61 6.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 63.05 110.881 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.8 t -135.25 138.21 43.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 73.44 110.871 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.7 m -156.95 162.93 39.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 71.53 110.865 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.6 m -145.82 149.19 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 64.44 111.143 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -128.83 26.34 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 72.14 110.898 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.2 tttm -82.91 -45.4 14.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 63.1 110.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.3 mt -51.99 -30.66 26.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 53.32 110.913 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.4 -44.1 96.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 54.23 111.098 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -110.59 75.6 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 72.43 111.068 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -132.74 155.42 48.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 23.34 111.044 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.3 tp -110.29 138.7 46.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 63.12 110.945 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 71.21 110.891 179.958 . . . . . . . . 0 0 . 1 stop_ save_