data_2n6n_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 2n6n _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.838 0.351 . . . . 75.120000000000005 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.35 149.08 25.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 63.149999999999999 111.129 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -98.1 178.02 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 75.040000000000006 110.87 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -55.37 121.54 9.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 73.140000000000001 110.874 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.36 -19.9 47.24 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 65.540000000000006 112.482 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.1 mm -77.29 104.36 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.958 0.409 . . . . 75.200000000000003 111.156 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.49 156.88 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 72.420000000000002 110.879 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -145.07 137.05 25.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 62.299999999999997 110.872 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -94.19 -50.68 5.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 71.019999999999996 110.882 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -133.65 4.69 3.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 64.540000000000006 110.92 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.7 tt -102.89 156.93 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 75.530000000000001 111.108 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -104.96 153.03 21.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 74.030000000000001 110.861 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 m -73.11 148.82 43.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 74.219999999999999 110.911 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.3 m -57.97 178.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 75.409999999999997 110.859 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.1 p -54.73 140.88 34.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 75.209999999999994 110.86 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.41 -21.18 42.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.79 -0.719 . . . . 74.430000000000007 112.447 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.3 mt -123.72 157.68 33.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.861 0.362 . . . . 72.230000000000004 110.965 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.9 m -134.24 139.33 45.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 74.239999999999995 111.146 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.3 t -69.23 87.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 74.239999999999995 110.863 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -95.56 146.22 24.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 73.519999999999996 110.924 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.2 m -138.0 114.01 9.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.340000000000003 110.837 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.33 100.24 9.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 72.519999999999996 110.904 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.25 -113.01 3.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 72.099999999999994 112.448 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.9 m -111.58 26.38 10.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.886 0.374 . . . . 74.25 110.882 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -124.91 151.98 44.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 75.439999999999998 110.873 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.5 m -139.77 105.05 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.319999999999993 110.874 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.75 149.73 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 74.099999999999994 111.174 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.6 m -76.29 115.94 16.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 64.120000000000005 110.883 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.439999999999998 110.875 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.808 0.337 . . . . 75.120000000000005 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.82 152.57 22.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 63.149999999999999 111.04 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -101.26 -177.45 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 75.040000000000006 110.864 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -57.39 119.12 5.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 73.140000000000001 110.868 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.72 -20.13 46.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 65.540000000000006 112.485 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.0 mm -76.32 104.09 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.377 . . . . 75.200000000000003 111.112 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -54.31 159.63 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 72.420000000000002 110.887 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -147.2 137.02 23.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 62.299999999999997 110.907 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -94.19 -50.66 5.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 71.019999999999996 110.81 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -133.66 4.73 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 64.540000000000006 110.924 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.8 tt -102.86 156.86 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.530000000000001 111.158 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -104.03 154.43 19.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 74.030000000000001 110.844 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.2 m -74.32 148.84 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.219999999999999 110.894 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.8 m -54.71 173.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.409999999999997 110.864 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.0 m -53.02 138.57 30.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 75.209999999999994 110.816 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.02 -27.08 19.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 74.430000000000007 112.539 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mt -118.34 152.53 35.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 72.230000000000004 110.942 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -127.16 140.22 52.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 74.239999999999995 111.16 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.6 t -68.7 87.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 74.239999999999995 110.898 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -96.31 137.24 35.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 73.519999999999996 110.853 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.4 m -137.73 114.21 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 75.340000000000003 110.842 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -107.08 118.02 35.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 72.519999999999996 110.865 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 -113.06 5.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 72.099999999999994 112.527 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -110.89 26.7 10.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.39 . . . . 74.25 110.896 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -124.77 147.1 48.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 75.439999999999998 110.882 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 t -139.93 105.38 5.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 74.319999999999993 110.932 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -140.87 149.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 74.099999999999994 111.096 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 96.1 m -76.13 125.73 29.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 64.120000000000005 110.896 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.439999999999998 110.89 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.6 p . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 120.843 0.354 . . . . 75.120000000000005 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.22 155.4 21.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 63.149999999999999 111.128 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -107.86 178.29 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 75.040000000000006 110.921 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -55.38 120.5 7.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 73.140000000000001 110.847 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.36 -20.02 48.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 65.540000000000006 112.531 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.2 mm -76.27 102.87 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 75.200000000000003 111.133 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -56.78 136.1 55.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 72.420000000000002 110.971 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -124.04 137.03 54.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 62.299999999999997 110.849 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -94.2 -50.64 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 71.019999999999996 110.906 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -133.69 4.74 3.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 64.540000000000006 110.93 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.4 tt -102.81 156.97 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 75.530000000000001 111.157 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -103.5 154.0 19.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 74.030000000000001 110.843 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.0 m -76.96 147.61 36.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.869 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.4 m -56.92 174.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 75.409999999999997 110.94 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.42 142.56 21.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 75.209999999999994 110.874 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.0 -29.43 10.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 74.430000000000007 112.457 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mt -115.0 159.99 20.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.875 0.369 . . . . 72.230000000000004 110.959 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.2 m -131.27 132.64 44.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 74.239999999999995 111.107 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.1 t -71.86 87.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 74.239999999999995 110.86 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -95.04 148.62 22.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.909 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.2 m -134.77 114.05 12.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 75.340000000000003 110.883 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -106.16 96.13 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 72.519999999999996 110.947 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.69 -113.02 3.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.803 -0.713 . . . . 72.099999999999994 112.462 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 t -111.65 25.08 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.347 . . . . 74.25 110.822 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -125.02 151.5 45.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 75.439999999999998 110.885 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.5 m -140.0 105.38 5.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 74.319999999999993 110.905 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -138.58 151.7 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 74.099999999999994 111.119 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 99.7 m -75.32 134.73 40.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 64.120000000000005 110.879 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 73.439999999999998 110.911 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.847 0.356 . . . . 75.120000000000005 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.96 151.91 22.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 63.149999999999999 111.132 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -97.46 -178.86 4.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 75.040000000000006 110.891 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -58.6 122.87 14.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 73.140000000000001 110.842 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.18 -19.85 47.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.671 -0.776 . . . . 65.540000000000006 112.475 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.8 mm -78.92 103.54 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.943 0.401 . . . . 75.200000000000003 111.134 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -52.77 158.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 72.420000000000002 110.909 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -145.0 137.1 25.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 62.299999999999997 110.9 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -94.28 -50.64 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 71.019999999999996 110.856 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -133.69 4.67 3.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 64.540000000000006 110.842 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.0 tt -102.77 156.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 75.530000000000001 111.13 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -104.27 152.16 22.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 74.030000000000001 110.845 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 m -71.0 148.0 48.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 74.219999999999999 110.925 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.9 m -57.58 179.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 75.409999999999997 110.913 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -54.79 140.88 34.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 75.209999999999994 110.865 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.01 -20.26 46.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 74.430000000000007 112.494 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 mt -124.94 158.9 32.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 72.230000000000004 110.927 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 m -135.98 137.03 40.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 74.239999999999995 111.1 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.3 t -69.52 87.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.239999999999995 110.923 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -101.17 148.49 25.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.898 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 66.9 m -137.99 114.13 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 75.340000000000003 110.912 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -107.27 100.43 9.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 72.519999999999996 110.924 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.87 -113.21 3.61 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 72.099999999999994 112.521 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.5 t -112.72 26.43 10.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 74.25 110.866 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -124.99 148.08 48.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.135 -0.484 . . . . 75.439999999999998 110.896 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.9 m -139.91 105.77 5.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.319999999999993 110.89 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.1 149.32 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 74.099999999999994 111.085 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 78.1 m -75.88 129.99 37.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 64.120000000000005 110.867 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 73.439999999999998 110.88 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.903 0.382 . . . . 75.120000000000005 110.855 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.98 160.75 19.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 63.149999999999999 111.1 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -112.05 176.79 4.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 75.040000000000006 110.891 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -55.16 122.63 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 73.140000000000001 110.848 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.14 -19.74 47.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.757 . . . . 65.540000000000006 112.477 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.7 mm -76.47 100.56 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 75.200000000000003 111.137 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -54.91 131.52 44.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 72.420000000000002 110.952 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.48 137.08 54.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 62.299999999999997 110.897 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -94.3 -50.72 5.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 71.019999999999996 110.82 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -133.59 4.64 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 64.540000000000006 110.922 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.7 tt -102.79 156.88 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.530000000000001 111.089 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -105.03 153.13 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 74.030000000000001 110.814 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.7 m -74.33 148.43 41.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 74.219999999999999 110.877 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.5 m -58.16 177.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 75.409999999999997 110.924 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 p -54.78 140.33 36.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 75.209999999999994 110.938 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.29 -22.56 34.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.784 -0.722 . . . . 74.430000000000007 112.448 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.4 mt -119.75 151.11 39.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.0 0.429 . . . . 72.230000000000004 110.839 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.4 m -126.8 134.51 50.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.137 -0.483 . . . . 74.239999999999995 111.086 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.97 87.05 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 74.239999999999995 110.836 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -86.89 146.63 26.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 73.519999999999996 110.88 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.7 m -138.03 114.39 10.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 75.340000000000003 110.895 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -112.09 96.16 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 72.519999999999996 110.885 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.73 -112.96 3.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 72.099999999999994 112.452 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.94 25.06 11.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.339 . . . . 74.25 110.782 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 t -125.06 151.82 45.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 75.439999999999998 110.856 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.4 m -139.96 105.06 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 74.319999999999993 110.871 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -135.42 149.95 28.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.16 -0.473 . . . . 74.099999999999994 111.124 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.4 m -75.93 131.37 39.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 64.120000000000005 110.96 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 73.439999999999998 110.903 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.741 0.305 . . . . 75.120000000000005 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.34 154.53 19.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 63.149999999999999 111.107 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -109.35 177.92 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 75.040000000000006 110.838 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -55.46 121.28 8.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 73.140000000000001 110.85 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.22 -19.51 49.32 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.774 -0.727 . . . . 65.540000000000006 112.551 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.0 mm -76.13 100.9 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.964 0.412 . . . . 75.200000000000003 111.146 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -54.83 132.24 45.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 72.420000000000002 110.883 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.93 137.03 54.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 62.299999999999997 110.889 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 48.3 m170 -94.21 -50.65 5.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 71.019999999999996 110.878 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -133.68 4.65 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 64.540000000000006 110.897 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.2 tt -102.78 157.02 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 75.530000000000001 111.175 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -104.36 155.17 19.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 74.030000000000001 110.823 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.0 m -77.46 148.1 35.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 74.219999999999999 110.836 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.6 m -56.55 174.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 75.409999999999997 110.792 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 p -53.74 141.94 25.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 75.209999999999994 110.904 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.0 -24.3 30.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 74.430000000000007 112.475 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.9 mt -118.35 162.11 18.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 72.230000000000004 110.92 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.9 m -133.83 129.82 37.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 74.239999999999995 111.135 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.5 t -70.42 87.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 110.868 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -92.45 147.38 22.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 73.519999999999996 110.901 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 88.5 m -137.93 114.21 10.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 75.340000000000003 110.917 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -108.6 96.34 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 72.519999999999996 110.939 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.3 -113.03 3.9 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.768 -0.729 . . . . 72.099999999999994 112.491 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 p -111.99 24.96 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.916 0.389 . . . . 74.25 110.927 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -125.08 149.8 47.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 75.439999999999998 110.819 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.3 m -139.93 105.17 5.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.319999999999993 110.897 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -137.68 149.7 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 74.099999999999994 111.115 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 70.9 m -75.32 128.93 36.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 64.120000000000005 110.866 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 73.439999999999998 110.912 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.844 0.354 . . . . 75.120000000000005 110.856 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.79 153.01 21.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 63.149999999999999 111.128 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -108.07 178.94 4.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 75.040000000000006 110.889 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -57.43 120.99 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.140000000000001 110.832 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.36 -19.58 49.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 65.540000000000006 112.575 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.2 mm -76.11 101.55 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.969 0.414 . . . . 75.200000000000003 111.157 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -55.21 133.67 49.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 72.420000000000002 110.843 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.86 137.01 54.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 62.299999999999997 110.893 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -94.17 -50.76 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 71.019999999999996 110.868 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -133.6 4.58 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 64.540000000000006 110.899 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 tt -102.74 156.82 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 75.530000000000001 111.085 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -104.59 155.42 18.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 74.030000000000001 110.897 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.9 m -76.31 147.67 38.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 74.219999999999999 110.853 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.2 m -56.35 175.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 75.409999999999997 110.891 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.7 t -52.96 140.3 25.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 75.209999999999994 110.875 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.59 -25.88 20.86 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 74.430000000000007 112.512 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.3 mt -114.09 161.13 18.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 72.230000000000004 110.924 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 m -135.14 134.68 40.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 74.239999999999995 111.109 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.9 t -71.8 87.0 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 74.239999999999995 110.872 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -88.91 144.91 25.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.906 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.6 m -137.78 114.83 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 75.340000000000003 110.903 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -112.79 97.88 6.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 72.519999999999996 110.909 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.37 -113.03 3.76 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.808 -0.71 . . . . 72.099999999999994 112.42 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -112.1 25.15 11.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 74.25 110.824 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 t -125.05 149.94 47.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 75.439999999999998 110.865 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 54.9 m -140.06 105.02 4.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 74.319999999999993 110.873 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p -137.62 151.7 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 74.099999999999994 111.182 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.9 m -75.68 128.22 34.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 64.120000000000005 110.871 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 73.439999999999998 110.87 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.851 0.358 . . . . 75.120000000000005 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.94 157.47 20.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 63.149999999999999 111.073 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -110.65 177.72 4.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 75.040000000000006 110.933 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -55.6 121.98 10.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 73.140000000000001 110.932 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.73 -19.89 48.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 65.540000000000006 112.465 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.4 mm -76.26 101.69 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 75.200000000000003 111.194 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -55.86 131.4 46.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 72.420000000000002 110.924 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -120.06 137.07 54.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 62.299999999999997 110.824 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -94.26 -50.66 5.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 71.019999999999996 110.833 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -133.69 4.6 3.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 64.540000000000006 110.81 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.3 tt -102.64 156.81 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 75.530000000000001 111.121 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -104.89 152.63 22.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.030000000000001 110.873 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.7 m -74.0 148.34 42.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.219999999999999 110.845 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.7 m -57.33 177.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 75.409999999999997 110.827 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.1 p -56.53 139.13 50.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 75.209999999999994 110.924 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.25 -29.21 12.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 74.430000000000007 112.526 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 mt -110.66 163.61 13.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 72.230000000000004 110.945 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.0 m -134.4 123.38 23.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 74.239999999999995 111.18 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.22 87.01 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 74.239999999999995 110.843 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -95.5 147.91 23.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 73.519999999999996 110.9 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.9 m -135.28 115.37 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 75.340000000000003 110.901 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -110.22 96.38 6.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 72.519999999999996 110.881 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.91 -113.07 3.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 72.099999999999994 112.448 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.2 p -112.77 25.2 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 74.25 110.876 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 t -125.07 148.46 48.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 75.439999999999998 110.823 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.1 m -140.07 105.16 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 74.319999999999993 110.838 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.6 t -138.4 149.4 24.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 74.099999999999994 111.099 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.2 m -75.41 132.94 41.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 64.120000000000005 110.854 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 73.439999999999998 110.865 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.871 0.367 . . . . 75.120000000000005 110.838 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.31 155.38 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 63.149999999999999 111.046 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -108.1 179.5 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 75.040000000000006 110.858 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 120.74 8.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 73.140000000000001 110.925 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.18 -19.83 49.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 65.540000000000006 112.544 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.8 mm -76.21 101.04 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 75.200000000000003 111.125 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -54.5 136.79 44.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 72.420000000000002 110.848 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -125.19 137.03 54.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 62.299999999999997 110.903 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -94.27 -50.62 5.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 71.019999999999996 110.908 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -133.63 4.57 3.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 64.540000000000006 110.931 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.6 tt -102.71 156.91 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 75.530000000000001 111.117 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -104.64 153.86 20.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 74.030000000000001 110.877 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.4 m -74.86 147.32 41.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.219999999999999 110.893 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.6 m -56.13 174.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 75.409999999999997 110.869 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.1 p -53.72 137.78 36.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 75.209999999999994 110.867 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.66 -25.0 29.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.725 -0.75 . . . . 74.430000000000007 112.439 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -116.99 154.57 30.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.401 . . . . 72.230000000000004 110.898 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.5 m -125.64 137.7 53.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 74.239999999999995 111.162 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 t -77.4 86.95 3.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 74.239999999999995 110.941 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -90.53 148.97 22.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 73.519999999999996 110.863 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.6 m -137.89 114.16 10.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 75.340000000000003 110.901 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -108.9 102.57 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 72.519999999999996 110.926 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.13 -112.94 3.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 72.099999999999994 112.497 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -111.87 24.81 12.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 74.25 110.797 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -125.05 151.85 45.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 75.439999999999998 110.848 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.1 m -140.07 105.0 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 74.319999999999993 110.834 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -136.25 151.69 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.099999999999994 111.148 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 91.9 m -75.19 134.34 41.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 64.120000000000005 110.854 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 73.439999999999998 110.853 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.87 0.367 . . . . 75.120000000000005 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.61 158.87 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 63.149999999999999 111.148 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -110.0 177.39 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 75.040000000000006 110.895 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -55.58 122.18 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 73.140000000000001 110.868 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.51 -20.33 44.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 65.540000000000006 112.49 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.5 mm -76.38 101.59 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.931 0.396 . . . . 75.200000000000003 111.117 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -55.71 133.05 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 72.420000000000002 110.877 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.04 137.14 54.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 62.299999999999997 110.848 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -94.26 -50.66 5.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 71.019999999999996 110.868 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -133.66 4.7 3.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 64.540000000000006 110.902 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 tt -102.87 156.95 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 75.530000000000001 111.125 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -104.63 153.69 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 74.030000000000001 110.84 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.0 m -73.86 147.38 43.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 74.219999999999999 110.823 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -56.88 177.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 75.409999999999997 110.873 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -57.4 136.51 56.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 75.209999999999994 110.837 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.45 -29.32 12.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 74.430000000000007 112.512 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 mt -110.81 165.62 11.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 72.230000000000004 110.897 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.9 m -135.6 127.96 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 74.239999999999995 111.14 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.4 t -74.23 87.05 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 74.239999999999995 110.863 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -92.84 148.08 22.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 73.519999999999996 110.827 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.0 m -136.58 114.71 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 75.340000000000003 110.959 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -111.5 95.41 5.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 72.519999999999996 110.884 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.56 -112.99 3.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 72.099999999999994 112.451 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -112.68 24.83 12.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 74.25 110.823 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 t -125.03 146.57 49.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 75.439999999999998 110.873 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.4 m -139.83 107.41 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 74.319999999999993 110.841 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -141.76 151.56 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 74.099999999999994 111.082 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 98.3 m -75.45 130.98 39.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.122 -0.49 . . . . 64.120000000000005 110.848 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 73.439999999999998 110.833 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.8 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.896 0.379 . . . . 75.120000000000005 110.849 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.53 154.09 21.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 63.149999999999999 111.1 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -108.5 178.79 4.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 75.040000000000006 110.921 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 121.47 9.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 73.140000000000001 110.904 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.97 -19.56 48.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.728 . . . . 65.540000000000006 112.526 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.6 mm -76.03 100.62 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 75.200000000000003 111.16 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -54.92 132.61 47.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 72.420000000000002 110.862 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.82 137.1 54.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 62.299999999999997 110.87 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -94.19 -50.75 5.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 71.019999999999996 110.867 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -133.55 4.45 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 64.540000000000006 110.919 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 tt -102.6 156.92 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 75.530000000000001 111.112 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -103.52 155.09 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 74.030000000000001 110.838 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 m -78.33 148.25 33.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 74.219999999999999 110.88 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.0 m -56.78 174.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 75.409999999999997 110.875 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.1 p -53.4 142.33 22.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 75.209999999999994 110.875 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.78 -26.08 18.2 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.781 -0.723 . . . . 74.430000000000007 112.462 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -119.2 151.62 38.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.901 0.381 . . . . 72.230000000000004 110.818 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 m -126.2 136.86 53.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 74.239999999999995 111.189 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.5 t -70.03 87.16 0.56 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.459 . . . . 74.239999999999995 110.922 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -86.63 146.88 26.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 73.519999999999996 110.88 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.3 m -137.98 114.38 10.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 75.340000000000003 110.806 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -112.86 95.39 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 72.519999999999996 110.839 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.24 -113.04 3.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 72.099999999999994 112.468 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -111.73 24.89 12.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.913 0.387 . . . . 74.25 110.868 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m -125.03 151.74 45.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 75.439999999999998 110.88 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 m -140.07 105.04 4.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 74.319999999999993 110.828 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -135.38 149.91 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.099999999999994 111.173 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.3 m -75.31 120.97 21.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 64.120000000000005 110.894 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 73.439999999999998 110.902 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.824 0.345 . . . . 75.120000000000005 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.71 163.58 17.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 63.149999999999999 111.099 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -114.27 172.44 7.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 75.040000000000006 110.905 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 123.6 13.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.140000000000001 110.929 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.5 -18.21 55.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 65.540000000000006 112.482 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.6 mm -75.99 105.42 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 75.200000000000003 111.123 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.24 131.3 37.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 72.420000000000002 110.845 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -124.75 137.1 54.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 62.299999999999997 110.918 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -94.24 -50.73 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 71.019999999999996 110.811 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -133.48 4.31 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 64.540000000000006 110.881 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 tt -102.52 156.99 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 75.530000000000001 111.08 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -113.1 137.87 50.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 74.030000000000001 110.878 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.1 m -65.53 149.04 50.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 74.219999999999999 110.942 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.7 m -52.05 168.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.409999999999997 110.907 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 p -52.31 143.21 15.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 75.209999999999994 110.808 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.67 -19.6 44.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.729 . . . . 74.430000000000007 112.5 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.4 mt -120.95 171.21 8.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 72.230000000000004 110.894 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.1 m -136.63 124.7 22.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.239999999999995 111.179 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.8 t -78.58 87.18 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.239999999999995 110.929 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -100.23 148.97 24.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 73.519999999999996 110.917 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.6 m -129.25 114.28 16.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.340000000000003 110.938 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -106.21 123.57 48.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 72.519999999999996 110.888 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.16 -113.18 5.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 72.099999999999994 112.427 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -112.79 25.4 11.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.369 . . . . 74.25 110.797 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 m -124.99 151.97 44.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 75.439999999999998 110.863 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.6 m -137.36 105.01 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 74.319999999999993 110.955 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.43 151.74 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.099999999999994 111.116 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.8 m -84.73 142.93 29.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 64.120000000000005 110.856 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 73.439999999999998 110.821 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.834 0.35 . . . . 75.120000000000005 110.918 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.16 161.8 18.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 63.149999999999999 111.036 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -109.26 177.63 4.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 75.040000000000006 110.807 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -57.95 123.57 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 73.140000000000001 110.934 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.44 -20.45 43.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.736 . . . . 65.540000000000006 112.435 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.9 mm -76.38 103.41 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 75.200000000000003 111.166 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.36 132.42 50.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.438 . . . . 72.420000000000002 110.888 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.42 137.07 54.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 62.299999999999997 110.803 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -94.3 -50.66 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 71.019999999999996 110.791 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -133.68 4.72 3.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 64.540000000000006 110.906 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.7 tt -102.7 156.73 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 75.530000000000001 111.158 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -104.02 154.25 19.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 74.030000000000001 110.872 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.0 m -74.89 148.15 40.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 74.219999999999999 110.867 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.2 m -56.8 173.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 75.409999999999997 110.897 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 p -52.6 139.5 25.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 110.872 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.26 -29.23 11.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 74.430000000000007 112.519 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mt -116.15 161.69 18.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.826 0.346 . . . . 72.230000000000004 110.964 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.7 m -134.4 137.5 44.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 74.239999999999995 111.107 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -70.02 87.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 74.239999999999995 110.877 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -87.59 146.72 25.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 73.519999999999996 110.935 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.6 m -137.98 114.63 10.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 75.340000000000003 110.855 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -114.22 96.96 6.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 72.519999999999996 110.934 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.55 -113.0 3.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 72.099999999999994 112.46 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.4 t -112.95 24.98 11.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.859 0.362 . . . . 74.25 110.79 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -125.1 151.81 45.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 75.439999999999998 110.815 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 m -140.0 105.06 4.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.511 . . . . 74.319999999999993 110.874 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.45 149.63 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 74.099999999999994 111.138 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.29 122.52 23.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 64.120000000000005 110.897 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 73.439999999999998 110.86 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.856 0.36 . . . . 75.120000000000005 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.26 155.57 19.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 63.149999999999999 111.122 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -106.98 179.86 4.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 75.040000000000006 110.895 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -58.62 121.93 12.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 73.140000000000001 110.812 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.26 -19.88 47.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.741 . . . . 65.540000000000006 112.502 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.4 mm -76.14 102.14 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.918 0.39 . . . . 75.200000000000003 111.164 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -55.49 133.26 49.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 72.420000000000002 110.946 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.81 137.07 54.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 62.299999999999997 110.873 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -94.29 -50.62 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 71.019999999999996 110.839 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -133.68 4.56 3.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 64.540000000000006 110.881 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.2 tt -102.72 156.91 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 75.530000000000001 111.141 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -104.71 152.18 22.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 74.030000000000001 110.863 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 m -73.03 147.99 44.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.838 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.7 m -57.58 178.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 75.409999999999997 110.914 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.8 p -57.42 138.86 54.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 75.209999999999994 110.86 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.12 -25.55 26.5 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.713 -0.756 . . . . 74.430000000000007 112.469 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.3 mt -117.27 156.85 27.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.925 0.393 . . . . 72.230000000000004 110.902 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.7 m -128.32 138.09 52.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 74.239999999999995 111.087 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.9 t -78.77 87.03 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 74.239999999999995 110.861 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -93.79 146.67 23.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 73.519999999999996 110.885 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.6 m -137.94 114.11 10.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 75.340000000000003 110.891 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -108.87 102.19 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 72.519999999999996 110.908 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.56 -113.04 3.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 72.099999999999994 112.484 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -112.68 24.76 12.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 74.25 110.881 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 m -124.92 148.28 48.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 75.439999999999998 110.879 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.87 104.98 5.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 74.319999999999993 110.93 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -137.38 151.86 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 74.099999999999994 111.162 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.0 m -75.7 128.13 34.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 64.120000000000005 110.909 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 73.439999999999998 110.939 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.833 0.349 . . . . 75.120000000000005 110.916 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.94 155.17 19.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 63.149999999999999 111.12 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -110.5 177.85 4.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 75.040000000000006 110.924 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.87 122.1 10.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.140000000000001 110.919 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.21 -19.96 46.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 65.540000000000006 112.438 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.1 mm -76.08 103.33 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 75.200000000000003 111.174 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -57.35 132.01 51.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 72.420000000000002 110.881 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.99 137.1 54.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 62.299999999999997 110.885 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -94.22 -50.66 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 71.019999999999996 110.887 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -133.65 4.54 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 64.540000000000006 110.918 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.6 tt -102.62 156.94 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 75.530000000000001 111.163 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -103.24 153.87 19.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.030000000000001 110.876 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.7 m -78.09 147.68 34.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 74.219999999999999 110.846 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.3 m -56.27 175.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 75.409999999999997 110.839 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 p -55.95 145.1 26.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 75.209999999999994 110.88 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.44 -23.75 30.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 74.430000000000007 112.504 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.3 mt -118.22 163.87 16.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.93 0.395 . . . . 72.230000000000004 110.882 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -133.49 123.76 25.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.239999999999995 111.142 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.4 t -71.15 86.98 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 74.239999999999995 110.87 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -102.17 148.62 25.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 73.519999999999996 110.911 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.9 m -130.92 114.0 14.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 75.340000000000003 110.873 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -101.52 96.27 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 72.519999999999996 110.835 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.15 -113.08 3.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 72.099999999999994 112.43 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -111.58 24.51 12.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 74.25 110.848 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t -125.1 151.78 45.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 75.439999999999998 110.818 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.7 m -140.03 105.5 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 74.319999999999993 110.883 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 p -140.79 151.25 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 74.099999999999994 111.125 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.5 m -75.6 135.15 40.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 64.120000000000005 110.89 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.0 mmm-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 73.439999999999998 110.98 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.792 0.329 . . . . 75.120000000000005 110.921 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.64 159.26 19.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 63.149999999999999 111.075 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -109.64 177.47 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 75.040000000000006 110.876 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -55.61 123.0 12.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.509 . . . . 73.140000000000001 110.97 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.54 -19.78 48.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 65.540000000000006 112.486 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mm -76.04 103.96 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 75.200000000000003 111.1 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -57.44 131.82 51.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 72.420000000000002 110.829 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.32 137.0 54.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 62.299999999999997 110.864 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -94.25 -50.6 5.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 71.019999999999996 110.846 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -133.61 4.57 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 64.540000000000006 110.863 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.0 tt -102.73 156.68 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 75.530000000000001 111.088 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -102.78 155.87 18.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 74.030000000000001 110.862 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 m -79.05 148.76 32.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 74.219999999999999 110.894 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.9 m -54.87 172.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 75.409999999999997 110.914 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.9 p -52.57 142.22 18.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 75.209999999999994 110.887 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.99 -27.29 15.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 74.430000000000007 112.501 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 mt -117.5 154.05 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 72.230000000000004 110.974 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -128.33 136.07 50.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.269 -0.423 . . . . 74.239999999999995 111.172 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.0 t -68.68 87.09 0.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 74.239999999999995 110.875 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -91.39 147.61 22.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 73.519999999999996 110.866 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.1 m -137.89 115.84 11.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 75.340000000000003 110.891 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -112.24 98.64 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 72.519999999999996 110.887 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.73 -113.0 3.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 72.099999999999994 112.507 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 p -111.8 24.88 12.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.923 0.392 . . . . 74.25 110.864 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -125.02 152.03 44.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 75.439999999999998 110.891 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.6 m -139.59 105.03 5.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 74.319999999999993 110.878 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.4 149.75 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.099999999999994 111.11 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.1 m -77.31 111.15 12.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 64.120000000000005 110.861 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 73.439999999999998 110.872 -179.945 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.862 0.363 . . . . 75.120000000000005 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.63 160.8 18.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 63.149999999999999 111.073 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -112.96 169.92 8.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 75.040000000000006 110.903 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -53.23 121.92 8.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 73.140000000000001 110.935 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.37 -18.65 56.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 65.540000000000006 112.497 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.0 mm -76.04 106.27 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.383 . . . . 75.200000000000003 111.112 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -53.67 129.21 32.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 72.420000000000002 110.914 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -120.82 137.03 54.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 62.299999999999997 110.883 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -94.24 -50.68 5.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 71.019999999999996 110.887 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -133.62 4.76 3.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 64.540000000000006 110.911 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.3 tt -102.99 156.83 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 75.530000000000001 111.102 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -116.23 126.66 53.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 74.030000000000001 110.871 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.7 m -53.17 148.59 8.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.282 -0.417 . . . . 74.219999999999999 110.836 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m -53.26 171.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 75.409999999999997 110.865 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.0 t -52.2 142.68 16.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 75.209999999999994 110.849 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.73 -20.03 37.45 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 74.430000000000007 112.493 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mt -125.21 163.88 21.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.923 0.392 . . . . 72.230000000000004 110.882 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 m -129.93 119.13 22.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 111.162 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.8 t -70.22 87.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.239999999999995 110.876 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -94.52 148.42 22.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 73.519999999999996 110.956 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.3 m -130.64 114.87 15.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 75.340000000000003 110.883 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -111.8 126.82 55.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 72.519999999999996 110.953 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.8 -113.05 3.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 72.099999999999994 112.467 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.7 m -112.84 25.18 11.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 74.25 110.9 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -125.01 152.02 44.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 75.439999999999998 110.881 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.6 m -140.03 104.96 4.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 74.319999999999993 110.899 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -139.61 151.79 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 74.099999999999994 111.131 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 95.3 m -84.78 150.85 24.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 64.120000000000005 110.82 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 73.439999999999998 110.946 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.895 0.379 . . . . 75.120000000000005 110.855 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.14 159.6 18.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 63.149999999999999 111.09 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -110.58 175.39 5.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 75.040000000000006 110.865 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -53.79 122.38 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 73.140000000000001 110.858 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.15 -19.83 47.05 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.699 -0.763 . . . . 65.540000000000006 112.514 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.0 mm -76.35 102.44 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 75.200000000000003 111.135 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -56.28 132.87 51.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 72.420000000000002 110.852 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.17 137.11 54.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 62.299999999999997 110.895 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -94.26 -50.69 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 71.019999999999996 110.827 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -133.69 4.77 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 64.540000000000006 110.841 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 tt -102.92 156.96 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 75.530000000000001 111.162 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -104.94 153.31 21.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 74.030000000000001 110.839 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.5 m -73.79 148.56 42.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 74.219999999999999 110.835 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.9 m -58.89 177.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 75.409999999999997 110.934 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -56.78 138.83 52.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 75.209999999999994 110.846 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.85 -26.03 25.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.677 -0.773 . . . . 74.430000000000007 112.484 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mt -115.74 164.53 14.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.913 0.387 . . . . 72.230000000000004 110.918 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.7 m -134.03 131.55 39.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 74.239999999999995 111.07 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.7 t -78.26 87.1 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 74.239999999999995 110.904 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -99.15 147.68 24.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 73.519999999999996 110.877 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 99.6 m -132.5 113.96 13.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 75.340000000000003 110.838 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -104.32 97.22 7.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 72.519999999999996 110.877 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.48 -112.94 3.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 72.099999999999994 112.583 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.5 m -112.81 24.62 12.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.356 . . . . 74.25 110.87 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.4 t -124.96 151.3 45.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 75.439999999999998 110.877 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.4 m -139.99 105.04 4.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 74.319999999999993 110.919 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 p -138.62 151.69 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 74.099999999999994 111.071 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.7 m -75.87 127.54 33.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 64.120000000000005 110.92 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 73.439999999999998 110.871 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.789 0.328 . . . . 75.120000000000005 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.01 155.54 19.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 63.149999999999999 111.123 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -108.26 179.12 4.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 75.040000000000006 110.898 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -57.21 120.92 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 73.140000000000001 110.873 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.39 -19.7 48.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.749 . . . . 65.540000000000006 112.464 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.4 mm -76.17 101.88 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.883 0.373 . . . . 75.200000000000003 111.146 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -55.73 133.1 50.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 72.420000000000002 110.864 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.7 137.08 54.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 62.299999999999997 110.816 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -94.22 -50.73 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 71.019999999999996 110.835 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -133.64 4.75 3.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 64.540000000000006 110.853 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.8 tt -102.92 156.97 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 75.530000000000001 111.113 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -103.98 154.88 19.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 74.030000000000001 110.817 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.1 m -76.76 147.82 37.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 74.219999999999999 110.889 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.2 m -57.29 177.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 75.409999999999997 110.91 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.72 139.83 49.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 75.209999999999994 110.884 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.02 -22.88 38.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 74.430000000000007 112.492 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mt -122.61 162.93 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 72.230000000000004 110.838 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.4 m -135.69 135.81 40.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 74.239999999999995 111.122 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -69.75 87.14 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 74.239999999999995 110.826 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -83.65 146.17 28.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 110.894 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.6 m -138.02 115.42 11.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 75.340000000000003 110.873 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -118.98 96.69 5.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 72.519999999999996 110.869 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.12 -112.98 3.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 72.099999999999994 112.489 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 t -112.74 24.44 12.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.871 0.367 . . . . 74.25 110.905 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -125.07 149.08 48.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 75.439999999999998 110.895 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.5 m -140.01 104.98 4.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 74.319999999999993 110.911 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -136.34 151.76 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.099999999999994 111.131 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.4 m -75.78 140.6 42.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 64.120000000000005 110.916 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 73.439999999999998 110.813 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.811 0.339 . . . . 75.120000000000005 110.937 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.15 154.45 20.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 63.149999999999999 111.091 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -106.12 179.34 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 75.040000000000006 110.874 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.09 121.15 9.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 73.140000000000001 110.924 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.09 -19.52 48.85 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.756 -0.735 . . . . 65.540000000000006 112.492 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.1 mm -76.3 102.35 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 75.200000000000003 111.077 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -55.26 136.82 48.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 72.420000000000002 110.943 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -124.48 137.15 54.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 62.299999999999997 110.862 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -94.31 -50.58 5.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 71.019999999999996 110.867 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -133.68 4.51 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 64.540000000000006 110.854 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.7 tt -102.57 156.82 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 75.530000000000001 111.114 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -104.4 153.75 20.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 74.030000000000001 110.846 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.5 m -76.38 147.36 38.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 74.219999999999999 110.867 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.0 m -57.55 178.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 75.409999999999997 110.925 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -57.31 139.82 51.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 110.849 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.68 -23.41 35.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.676 -0.773 . . . . 74.430000000000007 112.499 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 mt -121.09 156.06 33.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.358 . . . . 72.230000000000004 110.934 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.9 m -129.52 135.68 48.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 74.239999999999995 111.171 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.5 t -72.35 87.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 74.239999999999995 110.875 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -85.83 144.57 27.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.519999999999996 110.874 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.9 m -138.06 116.05 11.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 110.895 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -119.84 96.18 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.519999999999996 110.944 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.16 -112.99 3.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 72.099999999999994 112.428 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.6 p -112.63 24.72 12.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 74.25 110.866 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -125.07 145.54 49.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 75.439999999999998 110.801 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.3 m -140.02 105.06 4.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 74.319999999999993 110.854 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -138.84 151.57 23.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 74.099999999999994 111.089 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.3 m -74.9 139.4 43.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 64.120000000000005 110.914 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 73.439999999999998 110.845 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.528 -0.229 . . . . 75.510000000000005 112.528 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -133.84 -176.04 4.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 75.299999999999997 110.929 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 p -145.07 156.9 44.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 75.120000000000005 110.928 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.35 149.08 25.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 63.149999999999999 111.129 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -98.1 178.02 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 75.040000000000006 110.87 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -55.37 121.54 9.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 73.140000000000001 110.874 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.36 -19.9 47.24 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 65.540000000000006 112.482 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.1 mm -77.29 104.36 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.958 0.409 . . . . 75.200000000000003 111.156 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.49 156.88 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 72.420000000000002 110.879 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -145.07 137.05 25.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 62.299999999999997 110.872 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -94.19 -50.68 5.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 71.019999999999996 110.882 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -133.65 4.69 3.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 64.540000000000006 110.92 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.7 tt -102.89 156.93 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 75.530000000000001 111.108 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -104.96 153.03 21.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 74.030000000000001 110.861 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 m -73.11 148.82 43.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 74.219999999999999 110.911 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.3 m -57.97 178.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 75.409999999999997 110.859 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.1 p -54.73 140.88 34.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 75.209999999999994 110.86 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.41 -21.18 42.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.79 -0.719 . . . . 74.430000000000007 112.447 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.3 mt -123.72 157.68 33.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.861 0.362 . . . . 72.230000000000004 110.965 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.9 m -134.24 139.33 45.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 74.239999999999995 111.146 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.3 t -69.23 87.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 74.239999999999995 110.863 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -95.56 146.22 24.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 73.519999999999996 110.924 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.2 m -138.0 114.01 9.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.340000000000003 110.837 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.33 100.24 9.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 72.519999999999996 110.904 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.25 -113.01 3.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 72.099999999999994 112.448 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.9 m -111.58 26.38 10.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.886 0.374 . . . . 74.25 110.882 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -124.91 151.98 44.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 75.439999999999998 110.873 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.5 m -139.77 105.05 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.319999999999993 110.874 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.75 149.73 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 74.099999999999994 111.174 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.6 m -76.29 115.94 16.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 64.120000000000005 110.883 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -122.69 148.27 45.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.439999999999998 110.875 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 72.530000000000001 110.901 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.536 -0.225 . . . . 75.510000000000005 112.536 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -134.9 161.08 36.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.395 . . . . 75.299999999999997 110.931 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.7 p -165.92 152.06 9.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 75.120000000000005 110.89 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.82 152.57 22.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 63.149999999999999 111.04 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -101.26 -177.45 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 75.040000000000006 110.864 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -57.39 119.12 5.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 73.140000000000001 110.868 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.72 -20.13 46.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 65.540000000000006 112.485 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.0 mm -76.32 104.09 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.377 . . . . 75.200000000000003 111.112 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -54.31 159.63 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 72.420000000000002 110.887 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -147.2 137.02 23.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 62.299999999999997 110.907 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -94.19 -50.66 5.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 71.019999999999996 110.81 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -133.66 4.73 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 64.540000000000006 110.924 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.8 tt -102.86 156.86 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.530000000000001 111.158 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -104.03 154.43 19.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 74.030000000000001 110.844 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.2 m -74.32 148.84 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.219999999999999 110.894 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.8 m -54.71 173.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.409999999999997 110.864 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.0 m -53.02 138.57 30.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 75.209999999999994 110.816 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.02 -27.08 19.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 74.430000000000007 112.539 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mt -118.34 152.53 35.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 72.230000000000004 110.942 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -127.16 140.22 52.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 74.239999999999995 111.16 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.6 t -68.7 87.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 74.239999999999995 110.898 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -96.31 137.24 35.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 73.519999999999996 110.853 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.4 m -137.73 114.21 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 75.340000000000003 110.842 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -107.08 118.02 35.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 72.519999999999996 110.865 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 -113.06 5.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 72.099999999999994 112.527 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -110.89 26.7 10.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.39 . . . . 74.25 110.896 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -124.77 147.1 48.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 75.439999999999998 110.882 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 t -139.93 105.38 5.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 74.319999999999993 110.932 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -140.87 149.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 74.099999999999994 111.096 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 96.1 m -76.13 125.73 29.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 64.120000000000005 110.896 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 -140.19 153.21 46.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 73.439999999999998 110.89 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 72.530000000000001 110.868 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.476 -0.249 . . . . 75.510000000000005 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -103.14 134.01 47.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.915 0.388 . . . . 75.299999999999997 110.885 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.6 p -158.64 155.01 27.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 75.120000000000005 110.86 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.22 155.4 21.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 63.149999999999999 111.128 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -107.86 178.29 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 75.040000000000006 110.921 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -55.38 120.5 7.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 73.140000000000001 110.847 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.36 -20.02 48.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 65.540000000000006 112.531 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.2 mm -76.27 102.87 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 75.200000000000003 111.133 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -56.78 136.1 55.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 72.420000000000002 110.971 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -124.04 137.03 54.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 62.299999999999997 110.849 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -94.2 -50.64 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 71.019999999999996 110.906 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -133.69 4.74 3.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 64.540000000000006 110.93 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.4 tt -102.81 156.97 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 75.530000000000001 111.157 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -103.5 154.0 19.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 74.030000000000001 110.843 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.0 m -76.96 147.61 36.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.869 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.4 m -56.92 174.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 75.409999999999997 110.94 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.42 142.56 21.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 75.209999999999994 110.874 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.0 -29.43 10.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 74.430000000000007 112.457 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mt -115.0 159.99 20.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.875 0.369 . . . . 72.230000000000004 110.959 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.2 m -131.27 132.64 44.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 74.239999999999995 111.107 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.1 t -71.86 87.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 74.239999999999995 110.86 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -95.04 148.62 22.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.909 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.2 m -134.77 114.05 12.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 75.340000000000003 110.883 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -106.16 96.13 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 72.519999999999996 110.947 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.69 -113.02 3.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.803 -0.713 . . . . 72.099999999999994 112.462 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 t -111.65 25.08 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.347 . . . . 74.25 110.822 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -125.02 151.5 45.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 75.439999999999998 110.885 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.5 m -140.0 105.38 5.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 74.319999999999993 110.905 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -138.58 151.7 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 74.099999999999994 111.119 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 99.7 m -75.32 134.73 40.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 64.120000000000005 110.879 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -141.93 138.4 31.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 73.439999999999998 110.911 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 72.530000000000001 110.912 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.505 -0.238 . . . . 75.510000000000005 112.505 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -82.02 151.22 27.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.915 0.388 . . . . 75.299999999999997 110.91 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.8 p -168.94 153.32 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 75.120000000000005 110.897 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.96 151.91 22.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 63.149999999999999 111.132 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -97.46 -178.86 4.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 75.040000000000006 110.891 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -58.6 122.87 14.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 73.140000000000001 110.842 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.18 -19.85 47.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.671 -0.776 . . . . 65.540000000000006 112.475 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.8 mm -78.92 103.54 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.943 0.401 . . . . 75.200000000000003 111.134 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -52.77 158.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 72.420000000000002 110.909 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -145.0 137.1 25.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 62.299999999999997 110.9 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -94.28 -50.64 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 71.019999999999996 110.856 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -133.69 4.67 3.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 64.540000000000006 110.842 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.0 tt -102.77 156.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 75.530000000000001 111.13 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -104.27 152.16 22.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 74.030000000000001 110.845 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 m -71.0 148.0 48.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 74.219999999999999 110.925 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.9 m -57.58 179.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 75.409999999999997 110.913 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -54.79 140.88 34.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 75.209999999999994 110.865 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.01 -20.26 46.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 74.430000000000007 112.494 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 mt -124.94 158.9 32.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 72.230000000000004 110.927 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 m -135.98 137.03 40.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 74.239999999999995 111.1 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.3 t -69.52 87.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.239999999999995 110.923 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -101.17 148.49 25.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.898 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 66.9 m -137.99 114.13 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 75.340000000000003 110.912 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -107.27 100.43 9.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 72.519999999999996 110.924 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.87 -113.21 3.61 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 72.099999999999994 112.521 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.5 t -112.72 26.43 10.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 74.25 110.866 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -124.99 148.08 48.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.135 -0.484 . . . . 75.439999999999998 110.896 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.9 m -139.91 105.77 5.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.319999999999993 110.89 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.1 149.32 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 74.099999999999994 111.085 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 78.1 m -75.88 129.99 37.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 64.120000000000005 110.867 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -137.6 155.76 48.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 73.439999999999998 110.88 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 72.530000000000001 110.908 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.451 -0.26 . . . . 75.510000000000005 112.451 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -132.35 146.25 51.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 75.299999999999997 110.967 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 p -166.31 155.47 11.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 75.120000000000005 110.855 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.98 160.75 19.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 63.149999999999999 111.1 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -112.05 176.79 4.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 75.040000000000006 110.891 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -55.16 122.63 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 73.140000000000001 110.848 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.14 -19.74 47.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.757 . . . . 65.540000000000006 112.477 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.7 mm -76.47 100.56 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 75.200000000000003 111.137 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -54.91 131.52 44.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 72.420000000000002 110.952 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.48 137.08 54.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 62.299999999999997 110.897 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -94.3 -50.72 5.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 71.019999999999996 110.82 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -133.59 4.64 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 64.540000000000006 110.922 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.7 tt -102.79 156.88 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.530000000000001 111.089 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -105.03 153.13 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 74.030000000000001 110.814 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.7 m -74.33 148.43 41.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 74.219999999999999 110.877 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.5 m -58.16 177.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 75.409999999999997 110.924 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 p -54.78 140.33 36.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 75.209999999999994 110.938 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.29 -22.56 34.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.784 -0.722 . . . . 74.430000000000007 112.448 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.4 mt -119.75 151.11 39.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.0 0.429 . . . . 72.230000000000004 110.839 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.4 m -126.8 134.51 50.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.137 -0.483 . . . . 74.239999999999995 111.086 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.97 87.05 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 74.239999999999995 110.836 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -86.89 146.63 26.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 73.519999999999996 110.88 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.7 m -138.03 114.39 10.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 75.340000000000003 110.895 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -112.09 96.16 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 72.519999999999996 110.885 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.73 -112.96 3.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 72.099999999999994 112.452 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.94 25.06 11.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.339 . . . . 74.25 110.782 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 t -125.06 151.82 45.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 75.439999999999998 110.856 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.4 m -139.96 105.06 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 74.319999999999993 110.871 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -135.42 149.95 28.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.16 -0.473 . . . . 74.099999999999994 111.124 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.4 m -75.93 131.37 39.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 64.120000000000005 110.96 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -141.53 142.0 33.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 73.439999999999998 110.903 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 72.530000000000001 110.892 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.537 -0.225 . . . . 75.510000000000005 112.537 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -133.45 158.11 43.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.957 0.408 . . . . 75.299999999999997 110.935 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.3 p -147.87 169.3 20.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 75.120000000000005 110.951 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.34 154.53 19.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 63.149999999999999 111.107 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -109.35 177.92 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 75.040000000000006 110.838 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -55.46 121.28 8.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 73.140000000000001 110.85 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.22 -19.51 49.32 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.774 -0.727 . . . . 65.540000000000006 112.551 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.0 mm -76.13 100.9 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.964 0.412 . . . . 75.200000000000003 111.146 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -54.83 132.24 45.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 72.420000000000002 110.883 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.93 137.03 54.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 62.299999999999997 110.889 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 48.3 m170 -94.21 -50.65 5.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 71.019999999999996 110.878 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -133.68 4.65 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 64.540000000000006 110.897 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.2 tt -102.78 157.02 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 75.530000000000001 111.175 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -104.36 155.17 19.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 74.030000000000001 110.823 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.0 m -77.46 148.1 35.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 74.219999999999999 110.836 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.6 m -56.55 174.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 75.409999999999997 110.792 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 p -53.74 141.94 25.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 75.209999999999994 110.904 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.0 -24.3 30.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 74.430000000000007 112.475 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.9 mt -118.35 162.11 18.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 72.230000000000004 110.92 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.9 m -133.83 129.82 37.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 74.239999999999995 111.135 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.5 t -70.42 87.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 110.868 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -92.45 147.38 22.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 73.519999999999996 110.901 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 88.5 m -137.93 114.21 10.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 75.340000000000003 110.917 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -108.6 96.34 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 72.519999999999996 110.939 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.3 -113.03 3.9 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.768 -0.729 . . . . 72.099999999999994 112.491 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 p -111.99 24.96 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.916 0.389 . . . . 74.25 110.927 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -125.08 149.8 47.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 75.439999999999998 110.819 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.3 m -139.93 105.17 5.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.319999999999993 110.897 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -137.68 149.7 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 74.099999999999994 111.115 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 70.9 m -75.32 128.93 36.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 64.120000000000005 110.866 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -141.03 132.11 26.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 73.439999999999998 110.912 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 72.530000000000001 110.922 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.495 -0.242 . . . . 75.510000000000005 112.495 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -143.39 -179.47 6.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.926 0.393 . . . . 75.299999999999997 110.941 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 p -140.89 161.17 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 75.120000000000005 110.856 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.79 153.01 21.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 63.149999999999999 111.128 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -108.07 178.94 4.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 75.040000000000006 110.889 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -57.43 120.99 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.140000000000001 110.832 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.36 -19.58 49.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 65.540000000000006 112.575 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.2 mm -76.11 101.55 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.969 0.414 . . . . 75.200000000000003 111.157 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -55.21 133.67 49.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 72.420000000000002 110.843 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.86 137.01 54.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 62.299999999999997 110.893 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -94.17 -50.76 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 71.019999999999996 110.868 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -133.6 4.58 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 64.540000000000006 110.899 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 tt -102.74 156.82 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 75.530000000000001 111.085 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -104.59 155.42 18.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 74.030000000000001 110.897 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.9 m -76.31 147.67 38.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 74.219999999999999 110.853 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.2 m -56.35 175.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 75.409999999999997 110.891 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.7 t -52.96 140.3 25.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 75.209999999999994 110.875 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.59 -25.88 20.86 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 74.430000000000007 112.512 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.3 mt -114.09 161.13 18.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 72.230000000000004 110.924 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 m -135.14 134.68 40.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 74.239999999999995 111.109 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.9 t -71.8 87.0 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 74.239999999999995 110.872 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -88.91 144.91 25.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.906 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.6 m -137.78 114.83 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 75.340000000000003 110.903 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -112.79 97.88 6.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 72.519999999999996 110.909 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.37 -113.03 3.76 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.808 -0.71 . . . . 72.099999999999994 112.42 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -112.1 25.15 11.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 74.25 110.824 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 t -125.05 149.94 47.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 75.439999999999998 110.865 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 54.9 m -140.06 105.02 4.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 74.319999999999993 110.873 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p -137.62 151.7 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 74.099999999999994 111.182 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.9 m -75.68 128.22 34.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 64.120000000000005 110.871 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -141.81 131.53 24.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 73.439999999999998 110.87 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 72.530000000000001 110.918 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.527 -0.229 . . . . 75.510000000000005 112.527 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -111.71 178.13 4.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.922 0.392 . . . . 75.299999999999997 110.913 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 p -140.9 156.48 46.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 75.120000000000005 110.86 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.94 157.47 20.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 63.149999999999999 111.073 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -110.65 177.72 4.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 75.040000000000006 110.933 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -55.6 121.98 10.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 73.140000000000001 110.932 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.73 -19.89 48.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 65.540000000000006 112.465 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.4 mm -76.26 101.69 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 75.200000000000003 111.194 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -55.86 131.4 46.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 72.420000000000002 110.924 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -120.06 137.07 54.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 62.299999999999997 110.824 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -94.26 -50.66 5.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 71.019999999999996 110.833 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -133.69 4.6 3.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 64.540000000000006 110.81 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.3 tt -102.64 156.81 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 75.530000000000001 111.121 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -104.89 152.63 22.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.030000000000001 110.873 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.7 m -74.0 148.34 42.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.219999999999999 110.845 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.7 m -57.33 177.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 75.409999999999997 110.827 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.1 p -56.53 139.13 50.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 75.209999999999994 110.924 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.25 -29.21 12.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 74.430000000000007 112.526 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 mt -110.66 163.61 13.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 72.230000000000004 110.945 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.0 m -134.4 123.38 23.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 74.239999999999995 111.18 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.22 87.01 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 74.239999999999995 110.843 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -95.5 147.91 23.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 73.519999999999996 110.9 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.9 m -135.28 115.37 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 75.340000000000003 110.901 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -110.22 96.38 6.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 72.519999999999996 110.881 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.91 -113.07 3.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 72.099999999999994 112.448 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.2 p -112.77 25.2 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 74.25 110.876 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 t -125.07 148.46 48.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 75.439999999999998 110.823 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.1 m -140.07 105.16 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 74.319999999999993 110.838 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.6 t -138.4 149.4 24.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 74.099999999999994 111.099 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.2 m -75.41 132.94 41.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 64.120000000000005 110.854 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -141.68 141.01 33.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 73.439999999999998 110.865 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 72.530000000000001 110.906 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.459 -0.256 . . . . 75.510000000000005 112.459 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -145.95 128.64 16.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.899 0.38 . . . . 75.299999999999997 110.938 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 p -151.49 158.5 43.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 75.120000000000005 110.838 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.31 155.38 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 63.149999999999999 111.046 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -108.1 179.5 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 75.040000000000006 110.858 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 120.74 8.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 73.140000000000001 110.925 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.18 -19.83 49.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 65.540000000000006 112.544 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.8 mm -76.21 101.04 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 75.200000000000003 111.125 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -54.5 136.79 44.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 72.420000000000002 110.848 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -125.19 137.03 54.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 62.299999999999997 110.903 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -94.27 -50.62 5.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 71.019999999999996 110.908 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -133.63 4.57 3.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 64.540000000000006 110.931 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.6 tt -102.71 156.91 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 75.530000000000001 111.117 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -104.64 153.86 20.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 74.030000000000001 110.877 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.4 m -74.86 147.32 41.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.219999999999999 110.893 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.6 m -56.13 174.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 75.409999999999997 110.869 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.1 p -53.72 137.78 36.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 75.209999999999994 110.867 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.66 -25.0 29.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.725 -0.75 . . . . 74.430000000000007 112.439 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -116.99 154.57 30.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.401 . . . . 72.230000000000004 110.898 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.5 m -125.64 137.7 53.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 74.239999999999995 111.162 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 t -77.4 86.95 3.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 74.239999999999995 110.941 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -90.53 148.97 22.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 73.519999999999996 110.863 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.6 m -137.89 114.16 10.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 75.340000000000003 110.901 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -108.9 102.57 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 72.519999999999996 110.926 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.13 -112.94 3.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 72.099999999999994 112.497 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -111.87 24.81 12.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 74.25 110.797 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -125.05 151.85 45.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 75.439999999999998 110.848 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.1 m -140.07 105.0 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 74.319999999999993 110.834 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -136.25 151.69 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.099999999999994 111.148 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 91.9 m -75.19 134.34 41.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 64.120000000000005 110.854 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -141.7 132.98 26.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 73.439999999999998 110.853 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 72.530000000000001 110.879 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 N-CA-C 112.463 -0.255 . . . . 75.510000000000005 112.463 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -91.3 154.57 19.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.923 0.392 . . . . 75.299999999999997 110.926 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.3 p -168.01 156.27 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 75.120000000000005 110.881 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.61 158.87 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 63.149999999999999 111.148 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -110.0 177.39 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 75.040000000000006 110.895 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -55.58 122.18 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 73.140000000000001 110.868 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.51 -20.33 44.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 65.540000000000006 112.49 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.5 mm -76.38 101.59 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.931 0.396 . . . . 75.200000000000003 111.117 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -55.71 133.05 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 72.420000000000002 110.877 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.04 137.14 54.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 62.299999999999997 110.848 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -94.26 -50.66 5.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 71.019999999999996 110.868 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -133.66 4.7 3.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 64.540000000000006 110.902 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 tt -102.87 156.95 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 75.530000000000001 111.125 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -104.63 153.69 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 74.030000000000001 110.84 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.0 m -73.86 147.38 43.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 74.219999999999999 110.823 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -56.88 177.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 75.409999999999997 110.873 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -57.4 136.51 56.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 75.209999999999994 110.837 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.45 -29.32 12.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 74.430000000000007 112.512 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 mt -110.81 165.62 11.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 72.230000000000004 110.897 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.9 m -135.6 127.96 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 74.239999999999995 111.14 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.4 t -74.23 87.05 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 74.239999999999995 110.863 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -92.84 148.08 22.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 73.519999999999996 110.827 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.0 m -136.58 114.71 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 75.340000000000003 110.959 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -111.5 95.41 5.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 72.519999999999996 110.884 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.56 -112.99 3.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 72.099999999999994 112.451 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -112.68 24.83 12.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 74.25 110.823 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 t -125.03 146.57 49.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 75.439999999999998 110.873 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.4 m -139.83 107.41 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 74.319999999999993 110.841 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -141.76 151.56 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 74.099999999999994 111.082 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 98.3 m -75.45 130.98 39.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.122 -0.49 . . . . 64.120000000000005 110.848 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -141.84 131.36 23.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 73.439999999999998 110.833 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.4 tttt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.530000000000001 110.825 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.425 -0.27 . . . . 75.510000000000005 112.425 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -68.29 -175.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.951 0.405 . . . . 75.299999999999997 110.909 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.8 p -144.64 162.88 35.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 75.120000000000005 110.849 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.53 154.09 21.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 63.149999999999999 111.1 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -108.5 178.79 4.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 75.040000000000006 110.921 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 121.47 9.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 73.140000000000001 110.904 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.97 -19.56 48.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.728 . . . . 65.540000000000006 112.526 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.6 mm -76.03 100.62 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 75.200000000000003 111.16 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -54.92 132.61 47.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 72.420000000000002 110.862 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.82 137.1 54.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 62.299999999999997 110.87 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -94.19 -50.75 5.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 71.019999999999996 110.867 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -133.55 4.45 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 64.540000000000006 110.919 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 tt -102.6 156.92 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 75.530000000000001 111.112 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -103.52 155.09 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 74.030000000000001 110.838 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 m -78.33 148.25 33.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 74.219999999999999 110.88 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.0 m -56.78 174.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 75.409999999999997 110.875 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.1 p -53.4 142.33 22.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 75.209999999999994 110.875 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.78 -26.08 18.2 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.781 -0.723 . . . . 74.430000000000007 112.462 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -119.2 151.62 38.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.901 0.381 . . . . 72.230000000000004 110.818 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 m -126.2 136.86 53.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 74.239999999999995 111.189 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.5 t -70.03 87.16 0.56 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.459 . . . . 74.239999999999995 110.922 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -86.63 146.88 26.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 73.519999999999996 110.88 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.3 m -137.98 114.38 10.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 75.340000000000003 110.806 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -112.86 95.39 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 72.519999999999996 110.839 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.24 -113.04 3.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 72.099999999999994 112.468 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -111.73 24.89 12.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.913 0.387 . . . . 74.25 110.868 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m -125.03 151.74 45.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 75.439999999999998 110.88 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 m -140.07 105.04 4.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 74.319999999999993 110.828 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -135.38 149.91 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.099999999999994 111.173 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.3 m -75.31 120.97 21.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 64.120000000000005 110.894 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -137.42 143.83 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 73.439999999999998 110.902 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.6 tttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 72.530000000000001 110.957 179.892 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.476 -0.25 . . . . 75.510000000000005 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -75.73 141.54 42.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.949 0.404 . . . . 75.299999999999997 110.914 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.8 p -145.6 160.72 41.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 75.120000000000005 110.895 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.71 163.58 17.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 63.149999999999999 111.099 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -114.27 172.44 7.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 75.040000000000006 110.905 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 123.6 13.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.140000000000001 110.929 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.5 -18.21 55.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 65.540000000000006 112.482 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.6 mm -75.99 105.42 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 75.200000000000003 111.123 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.24 131.3 37.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 72.420000000000002 110.845 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -124.75 137.1 54.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 62.299999999999997 110.918 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -94.24 -50.73 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 71.019999999999996 110.811 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -133.48 4.31 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 64.540000000000006 110.881 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 tt -102.52 156.99 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 75.530000000000001 111.08 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -113.1 137.87 50.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 74.030000000000001 110.878 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.1 m -65.53 149.04 50.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 74.219999999999999 110.942 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.7 m -52.05 168.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.409999999999997 110.907 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 p -52.31 143.21 15.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 75.209999999999994 110.808 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.67 -19.6 44.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.729 . . . . 74.430000000000007 112.5 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.4 mt -120.95 171.21 8.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 72.230000000000004 110.894 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.1 m -136.63 124.7 22.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.239999999999995 111.179 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.8 t -78.58 87.18 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.239999999999995 110.929 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -100.23 148.97 24.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 73.519999999999996 110.917 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.6 m -129.25 114.28 16.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.340000000000003 110.938 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -106.21 123.57 48.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 72.519999999999996 110.888 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.16 -113.18 5.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 72.099999999999994 112.427 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -112.79 25.4 11.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.369 . . . . 74.25 110.797 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 m -124.99 151.97 44.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 75.439999999999998 110.863 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.6 m -137.36 105.01 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 74.319999999999993 110.955 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.43 151.74 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.099999999999994 111.116 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.8 m -84.73 142.93 29.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 64.120000000000005 110.856 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 -141.48 127.88 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 73.439999999999998 110.821 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 72.530000000000001 110.82 179.916 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.518 -0.233 . . . . 75.510000000000005 112.518 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -157.25 151.3 24.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.379 . . . . 75.299999999999997 110.949 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.3 p -149.57 151.2 33.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.506 . . . . 75.120000000000005 110.918 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.16 161.8 18.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 63.149999999999999 111.036 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -109.26 177.63 4.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 75.040000000000006 110.807 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -57.95 123.57 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 73.140000000000001 110.934 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.44 -20.45 43.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.736 . . . . 65.540000000000006 112.435 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.9 mm -76.38 103.41 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 75.200000000000003 111.166 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.36 132.42 50.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.438 . . . . 72.420000000000002 110.888 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.42 137.07 54.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 62.299999999999997 110.803 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -94.3 -50.66 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 71.019999999999996 110.791 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -133.68 4.72 3.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 64.540000000000006 110.906 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.7 tt -102.7 156.73 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 75.530000000000001 111.158 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -104.02 154.25 19.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 74.030000000000001 110.872 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.0 m -74.89 148.15 40.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 74.219999999999999 110.867 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.2 m -56.8 173.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 75.409999999999997 110.897 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 p -52.6 139.5 25.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 110.872 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.26 -29.23 11.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 74.430000000000007 112.519 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mt -116.15 161.69 18.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.826 0.346 . . . . 72.230000000000004 110.964 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.7 m -134.4 137.5 44.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 74.239999999999995 111.107 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -70.02 87.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 74.239999999999995 110.877 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -87.59 146.72 25.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 73.519999999999996 110.935 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.6 m -137.98 114.63 10.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 75.340000000000003 110.855 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -114.22 96.96 6.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 72.519999999999996 110.934 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.55 -113.0 3.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 72.099999999999994 112.46 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.4 t -112.95 24.98 11.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.859 0.362 . . . . 74.25 110.79 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -125.1 151.81 45.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 75.439999999999998 110.815 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 m -140.0 105.06 4.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.511 . . . . 74.319999999999993 110.874 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.45 149.63 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 74.099999999999994 111.138 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.29 122.52 23.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 64.120000000000005 110.897 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -136.97 140.82 42.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 73.439999999999998 110.86 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 72.530000000000001 110.884 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.549 -0.22 . . . . 75.510000000000005 112.549 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -152.29 -179.96 8.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.0 0.429 . . . . 75.299999999999997 110.911 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 p -149.65 164.97 33.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.104 -0.498 . . . . 75.120000000000005 110.848 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.26 155.57 19.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 63.149999999999999 111.122 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -106.98 179.86 4.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 75.040000000000006 110.895 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -58.62 121.93 12.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 73.140000000000001 110.812 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.26 -19.88 47.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.741 . . . . 65.540000000000006 112.502 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.4 mm -76.14 102.14 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.918 0.39 . . . . 75.200000000000003 111.164 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -55.49 133.26 49.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 72.420000000000002 110.946 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.81 137.07 54.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 62.299999999999997 110.873 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -94.29 -50.62 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 71.019999999999996 110.839 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -133.68 4.56 3.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 64.540000000000006 110.881 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.2 tt -102.72 156.91 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 75.530000000000001 111.141 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -104.71 152.18 22.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 74.030000000000001 110.863 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 m -73.03 147.99 44.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.838 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.7 m -57.58 178.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 75.409999999999997 110.914 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.8 p -57.42 138.86 54.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 75.209999999999994 110.86 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.12 -25.55 26.5 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.713 -0.756 . . . . 74.430000000000007 112.469 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.3 mt -117.27 156.85 27.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.925 0.393 . . . . 72.230000000000004 110.902 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.7 m -128.32 138.09 52.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 74.239999999999995 111.087 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.9 t -78.77 87.03 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 74.239999999999995 110.861 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -93.79 146.67 23.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 73.519999999999996 110.885 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.6 m -137.94 114.11 10.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 75.340000000000003 110.891 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -108.87 102.19 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 72.519999999999996 110.908 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.56 -113.04 3.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 72.099999999999994 112.484 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -112.68 24.76 12.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 74.25 110.881 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 m -124.92 148.28 48.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 75.439999999999998 110.879 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.87 104.98 5.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 74.319999999999993 110.93 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -137.38 151.86 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 74.099999999999994 111.162 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.0 m -75.7 128.13 34.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 64.120000000000005 110.909 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 -141.94 136.27 30.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 73.439999999999998 110.939 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 72.530000000000001 110.864 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.499 -0.24 . . . . 75.510000000000005 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -151.1 148.51 28.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.895 0.379 . . . . 75.299999999999997 111.014 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 p -153.78 169.34 23.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 75.120000000000005 110.916 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.94 155.17 19.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 63.149999999999999 111.12 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -110.5 177.85 4.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 75.040000000000006 110.924 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.87 122.1 10.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.140000000000001 110.919 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.21 -19.96 46.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 65.540000000000006 112.438 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.1 mm -76.08 103.33 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 75.200000000000003 111.174 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -57.35 132.01 51.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 72.420000000000002 110.881 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.99 137.1 54.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 62.299999999999997 110.885 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -94.22 -50.66 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 71.019999999999996 110.887 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -133.65 4.54 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 64.540000000000006 110.918 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.6 tt -102.62 156.94 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 75.530000000000001 111.163 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -103.24 153.87 19.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.030000000000001 110.876 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.7 m -78.09 147.68 34.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 74.219999999999999 110.846 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.3 m -56.27 175.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 75.409999999999997 110.839 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 p -55.95 145.1 26.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 75.209999999999994 110.88 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.44 -23.75 30.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 74.430000000000007 112.504 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.3 mt -118.22 163.87 16.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.93 0.395 . . . . 72.230000000000004 110.882 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -133.49 123.76 25.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.239999999999995 111.142 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.4 t -71.15 86.98 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 74.239999999999995 110.87 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -102.17 148.62 25.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 73.519999999999996 110.911 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.9 m -130.92 114.0 14.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 75.340000000000003 110.873 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -101.52 96.27 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 72.519999999999996 110.835 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.15 -113.08 3.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 72.099999999999994 112.43 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -111.58 24.51 12.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 74.25 110.848 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t -125.1 151.78 45.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 75.439999999999998 110.818 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.7 m -140.03 105.5 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 74.319999999999993 110.883 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 p -140.79 151.25 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 74.099999999999994 111.125 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.5 m -75.6 135.15 40.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 64.120000000000005 110.89 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.0 mmm-85 -141.53 133.82 28.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 73.439999999999998 110.98 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 72.530000000000001 110.901 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 N-CA-C 112.497 -0.241 . . . . 75.510000000000005 112.497 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -152.02 126.2 9.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.941 0.4 . . . . 75.299999999999997 110.929 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 p -152.04 151.76 31.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 75.120000000000005 110.921 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.64 159.26 19.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 63.149999999999999 111.075 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -109.64 177.47 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 75.040000000000006 110.876 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -55.61 123.0 12.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.509 . . . . 73.140000000000001 110.97 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.54 -19.78 48.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 65.540000000000006 112.486 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mm -76.04 103.96 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 75.200000000000003 111.1 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -57.44 131.82 51.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 72.420000000000002 110.829 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.32 137.0 54.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 62.299999999999997 110.864 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -94.25 -50.6 5.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 71.019999999999996 110.846 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -133.61 4.57 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 64.540000000000006 110.863 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.0 tt -102.73 156.68 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 75.530000000000001 111.088 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -102.78 155.87 18.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 74.030000000000001 110.862 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 m -79.05 148.76 32.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 74.219999999999999 110.894 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.9 m -54.87 172.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 75.409999999999997 110.914 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.9 p -52.57 142.22 18.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 75.209999999999994 110.887 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.99 -27.29 15.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 74.430000000000007 112.501 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 mt -117.5 154.05 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 72.230000000000004 110.974 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -128.33 136.07 50.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.269 -0.423 . . . . 74.239999999999995 111.172 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.0 t -68.68 87.09 0.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 74.239999999999995 110.875 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -91.39 147.61 22.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 73.519999999999996 110.866 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.1 m -137.89 115.84 11.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 75.340000000000003 110.891 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -112.24 98.64 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 72.519999999999996 110.887 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.73 -113.0 3.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 72.099999999999994 112.507 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 p -111.8 24.88 12.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.923 0.392 . . . . 74.25 110.864 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -125.02 152.03 44.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 75.439999999999998 110.891 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.6 m -139.59 105.03 5.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 74.319999999999993 110.878 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.4 149.75 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.099999999999994 111.11 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.1 m -77.31 111.15 12.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 64.120000000000005 110.861 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -133.15 144.94 50.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 73.439999999999998 110.872 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 72.530000000000001 110.869 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.5 -0.24 . . . . 75.510000000000005 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -146.04 164.46 32.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.892 0.377 . . . . 75.299999999999997 110.928 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p -136.71 156.4 48.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 75.120000000000005 110.871 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.63 160.8 18.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 63.149999999999999 111.073 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -112.96 169.92 8.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 75.040000000000006 110.903 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -53.23 121.92 8.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 73.140000000000001 110.935 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.37 -18.65 56.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 65.540000000000006 112.497 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.0 mm -76.04 106.27 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.383 . . . . 75.200000000000003 111.112 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -53.67 129.21 32.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 72.420000000000002 110.914 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -120.82 137.03 54.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 62.299999999999997 110.883 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -94.24 -50.68 5.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 71.019999999999996 110.887 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -133.62 4.76 3.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 64.540000000000006 110.911 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.3 tt -102.99 156.83 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 75.530000000000001 111.102 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -116.23 126.66 53.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 74.030000000000001 110.871 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.7 m -53.17 148.59 8.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.282 -0.417 . . . . 74.219999999999999 110.836 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m -53.26 171.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 75.409999999999997 110.865 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.0 t -52.2 142.68 16.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 75.209999999999994 110.849 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.73 -20.03 37.45 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 74.430000000000007 112.493 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mt -125.21 163.88 21.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.923 0.392 . . . . 72.230000000000004 110.882 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 m -129.93 119.13 22.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 111.162 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.8 t -70.22 87.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.239999999999995 110.876 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -94.52 148.42 22.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 73.519999999999996 110.956 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.3 m -130.64 114.87 15.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 75.340000000000003 110.883 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -111.8 126.82 55.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 72.519999999999996 110.953 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.8 -113.05 3.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 72.099999999999994 112.467 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.7 m -112.84 25.18 11.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 74.25 110.9 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -125.01 152.02 44.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 75.439999999999998 110.881 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.6 m -140.03 104.96 4.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 74.319999999999993 110.899 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -139.61 151.79 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 74.099999999999994 111.131 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 95.3 m -84.78 150.85 24.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 64.120000000000005 110.82 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.18 133.76 30.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 73.439999999999998 110.946 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 72.530000000000001 110.865 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.464 -0.255 . . . . 75.510000000000005 112.464 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -67.79 134.0 50.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 75.299999999999997 110.943 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 p -156.57 158.47 37.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.120000000000005 110.855 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.14 159.6 18.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 63.149999999999999 111.09 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -110.58 175.39 5.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 75.040000000000006 110.865 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -53.79 122.38 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 73.140000000000001 110.858 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.15 -19.83 47.05 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.699 -0.763 . . . . 65.540000000000006 112.514 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.0 mm -76.35 102.44 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 75.200000000000003 111.135 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -56.28 132.87 51.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 72.420000000000002 110.852 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.17 137.11 54.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 62.299999999999997 110.895 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -94.26 -50.69 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 71.019999999999996 110.827 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -133.69 4.77 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 64.540000000000006 110.841 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 tt -102.92 156.96 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 75.530000000000001 111.162 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -104.94 153.31 21.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 74.030000000000001 110.839 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.5 m -73.79 148.56 42.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 74.219999999999999 110.835 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.9 m -58.89 177.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 75.409999999999997 110.934 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -56.78 138.83 52.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 75.209999999999994 110.846 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.85 -26.03 25.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.677 -0.773 . . . . 74.430000000000007 112.484 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mt -115.74 164.53 14.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.913 0.387 . . . . 72.230000000000004 110.918 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.7 m -134.03 131.55 39.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 74.239999999999995 111.07 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.7 t -78.26 87.1 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 74.239999999999995 110.904 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -99.15 147.68 24.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 73.519999999999996 110.877 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 99.6 m -132.5 113.96 13.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 75.340000000000003 110.838 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -104.32 97.22 7.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 72.519999999999996 110.877 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.48 -112.94 3.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 72.099999999999994 112.583 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.5 m -112.81 24.62 12.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.356 . . . . 74.25 110.87 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.4 t -124.96 151.3 45.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 75.439999999999998 110.877 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.4 m -139.99 105.04 4.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 74.319999999999993 110.919 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 p -138.62 151.69 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 74.099999999999994 111.071 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.7 m -75.87 127.54 33.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 64.120000000000005 110.92 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -140.78 131.59 25.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 73.439999999999998 110.871 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 pttm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 72.530000000000001 110.97 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.533 -0.227 . . . . 75.510000000000005 112.533 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -166.81 175.45 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.959 0.409 . . . . 75.299999999999997 110.896 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 p -147.44 164.91 31.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.01 155.54 19.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 63.149999999999999 111.123 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -108.26 179.12 4.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 75.040000000000006 110.898 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -57.21 120.92 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 73.140000000000001 110.873 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.39 -19.7 48.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.749 . . . . 65.540000000000006 112.464 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.4 mm -76.17 101.88 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.883 0.373 . . . . 75.200000000000003 111.146 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -55.73 133.1 50.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 72.420000000000002 110.864 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.7 137.08 54.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 62.299999999999997 110.816 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -94.22 -50.73 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 71.019999999999996 110.835 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -133.64 4.75 3.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 64.540000000000006 110.853 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.8 tt -102.92 156.97 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 75.530000000000001 111.113 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -103.98 154.88 19.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 74.030000000000001 110.817 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.1 m -76.76 147.82 37.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 74.219999999999999 110.889 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.2 m -57.29 177.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 75.409999999999997 110.91 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.72 139.83 49.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 75.209999999999994 110.884 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.02 -22.88 38.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 74.430000000000007 112.492 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mt -122.61 162.93 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 72.230000000000004 110.838 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.4 m -135.69 135.81 40.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 74.239999999999995 111.122 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -69.75 87.14 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 74.239999999999995 110.826 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -83.65 146.17 28.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 110.894 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.6 m -138.02 115.42 11.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 75.340000000000003 110.873 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -118.98 96.69 5.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 72.519999999999996 110.869 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.12 -112.98 3.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 72.099999999999994 112.489 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 t -112.74 24.44 12.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.871 0.367 . . . . 74.25 110.905 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -125.07 149.08 48.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 75.439999999999998 110.895 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.5 m -140.01 104.98 4.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 74.319999999999993 110.911 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -136.34 151.76 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.099999999999994 111.131 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.4 m -75.78 140.6 42.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 64.120000000000005 110.916 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -141.89 137.43 31.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 73.439999999999998 110.813 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 72.530000000000001 110.948 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.499 -0.24 . . . . 75.510000000000005 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -164.68 139.37 5.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.948 0.404 . . . . 75.299999999999997 110.96 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.2 p -154.01 159.24 41.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 75.120000000000005 110.937 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.15 154.45 20.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 63.149999999999999 111.091 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -106.12 179.34 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 75.040000000000006 110.874 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.09 121.15 9.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 73.140000000000001 110.924 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.09 -19.52 48.85 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.756 -0.735 . . . . 65.540000000000006 112.492 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.1 mm -76.3 102.35 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 75.200000000000003 111.077 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -55.26 136.82 48.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 72.420000000000002 110.943 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -124.48 137.15 54.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 62.299999999999997 110.862 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -94.31 -50.58 5.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 71.019999999999996 110.867 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -133.68 4.51 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 64.540000000000006 110.854 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.7 tt -102.57 156.82 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 75.530000000000001 111.114 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -104.4 153.75 20.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 74.030000000000001 110.846 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.5 m -76.38 147.36 38.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 74.219999999999999 110.867 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.0 m -57.55 178.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 75.409999999999997 110.925 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -57.31 139.82 51.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 110.849 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.68 -23.41 35.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.676 -0.773 . . . . 74.430000000000007 112.499 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 mt -121.09 156.06 33.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.358 . . . . 72.230000000000004 110.934 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.9 m -129.52 135.68 48.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 74.239999999999995 111.171 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.5 t -72.35 87.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 74.239999999999995 110.875 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -85.83 144.57 27.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.519999999999996 110.874 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.9 m -138.06 116.05 11.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 110.895 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -119.84 96.18 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.519999999999996 110.944 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.16 -112.99 3.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 72.099999999999994 112.428 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.6 p -112.63 24.72 12.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 74.25 110.866 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -125.07 145.54 49.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 75.439999999999998 110.801 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.3 m -140.02 105.06 4.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 74.319999999999993 110.854 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -138.84 151.57 23.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 74.099999999999994 111.089 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.3 m -74.9 139.4 43.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 64.120000000000005 110.914 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -141.83 134.2 28.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 73.439999999999998 110.845 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 72.530000000000001 110.867 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.838 0.351 . . . . 72.33 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.35 149.08 25.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 44.33 111.129 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -98.1 178.02 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 55.21 110.87 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -55.37 121.54 9.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 73.14 110.874 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.36 -19.9 47.24 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 65.54 112.482 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.1 mm -77.29 104.36 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.958 0.409 . . . . 72.32 111.156 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.49 156.88 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 71.31 110.879 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -145.07 137.05 25.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 62.3 110.872 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -94.19 -50.68 5.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 71.02 110.882 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -133.65 4.69 3.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 60.31 110.92 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.7 tt -102.89 156.93 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 72.33 111.108 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -104.96 153.03 21.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 73.3 110.861 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 m -73.11 148.82 43.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 74.22 110.911 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.3 m -57.97 178.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 75.41 110.859 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.1 p -54.73 140.88 34.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.86 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.41 -21.18 42.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.79 -0.719 . . . . 74.43 112.447 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.3 mt -123.72 157.68 33.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.861 0.362 . . . . 71.31 110.965 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.9 m -134.24 139.33 45.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 72.2 111.146 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.3 t -69.23 87.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 62.33 110.863 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -95.56 146.22 24.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.924 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.2 m -138.0 114.01 9.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.34 110.837 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.33 100.24 9.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.904 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.25 -113.01 3.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 72.1 112.448 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.9 m -111.58 26.38 10.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.886 0.374 . . . . 74.25 110.882 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -124.91 151.98 44.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 65.12 110.873 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.5 m -139.77 105.05 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 72.55 110.874 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.75 149.73 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 72.41 111.174 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.6 m -76.29 115.94 16.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 53.41 110.883 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 65.24 110.875 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.808 0.337 . . . . 72.33 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.409 ' HB1' ' HB ' ' A' ' 8' ' ' ILE . . . -85.82 152.57 22.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 44.33 111.04 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -101.26 -177.45 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 55.21 110.864 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -57.39 119.12 5.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 73.14 110.868 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.72 -20.13 46.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 65.54 112.485 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.409 ' HB ' ' HB1' ' A' ' 4' ' ' ALA . 42.0 mm -76.32 104.09 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.377 . . . . 72.32 111.112 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -54.31 159.63 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 71.31 110.887 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -147.2 137.02 23.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 62.3 110.907 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -94.19 -50.66 5.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 71.02 110.81 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -133.66 4.73 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 60.31 110.924 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.8 tt -102.86 156.86 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 72.33 111.158 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -104.03 154.43 19.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 73.3 110.844 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.2 m -74.32 148.84 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.894 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.8 m -54.71 173.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.864 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.0 m -53.02 138.57 30.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.44 110.816 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.02 -27.08 19.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 74.43 112.539 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mt -118.34 152.53 35.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 71.31 110.942 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -127.16 140.22 52.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 72.2 111.16 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.6 t -68.7 87.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 62.33 110.898 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -96.31 137.24 35.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 73.52 110.853 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.4 m -137.73 114.21 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 75.34 110.842 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -107.08 118.02 35.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 71.31 110.865 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 -113.06 5.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 72.1 112.527 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -110.89 26.7 10.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.39 . . . . 74.25 110.896 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -124.77 147.1 48.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 65.12 110.882 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 t -139.93 105.38 5.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 72.55 110.932 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -140.87 149.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 72.41 111.096 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 96.1 m -76.13 125.73 29.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 53.41 110.896 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 65.24 110.89 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.6 p . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 120.843 0.354 . . . . 72.33 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.22 155.4 21.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 44.33 111.128 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -107.86 178.29 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 55.21 110.921 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -55.38 120.5 7.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.847 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.36 -20.02 48.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 65.54 112.531 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.2 mm -76.27 102.87 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 72.32 111.133 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -56.78 136.1 55.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 71.31 110.971 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -124.04 137.03 54.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 62.3 110.849 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -94.2 -50.64 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 71.02 110.906 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -133.69 4.74 3.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 60.31 110.93 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.4 tt -102.81 156.97 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 72.33 111.157 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -103.5 154.0 19.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 73.3 110.843 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.0 m -76.96 147.61 36.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.869 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.4 m -56.92 174.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 75.41 110.94 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.42 142.56 21.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.874 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.0 -29.43 10.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 74.43 112.457 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mt -115.0 159.99 20.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.875 0.369 . . . . 71.31 110.959 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.2 m -131.27 132.64 44.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 72.2 111.107 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.1 t -71.86 87.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 62.33 110.86 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -95.04 148.62 22.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.52 110.909 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.2 m -134.77 114.05 12.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 75.34 110.883 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -106.16 96.13 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 71.31 110.947 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.69 -113.02 3.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.803 -0.713 . . . . 72.1 112.462 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 t -111.65 25.08 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.347 . . . . 74.25 110.822 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -125.02 151.5 45.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 65.12 110.885 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.5 m -140.0 105.38 5.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 72.55 110.905 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -138.58 151.7 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.41 111.119 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 99.7 m -75.32 134.73 40.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 53.41 110.879 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 65.24 110.911 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.847 0.356 . . . . 72.33 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.421 ' HB1' ' HB ' ' A' ' 8' ' ' ILE . . . -86.96 151.91 22.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 44.33 111.132 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -97.46 -178.86 4.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 55.21 110.891 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -58.6 122.87 14.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 73.14 110.842 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.18 -19.85 47.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.671 -0.776 . . . . 65.54 112.475 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.421 ' HB ' ' HB1' ' A' ' 4' ' ' ALA . 44.8 mm -78.92 103.54 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.943 0.401 . . . . 72.32 111.134 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -52.77 158.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 71.31 110.909 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -145.0 137.1 25.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 62.3 110.9 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -94.28 -50.64 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 71.02 110.856 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -133.69 4.67 3.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 60.31 110.842 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.0 tt -102.77 156.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.33 111.13 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -104.27 152.16 22.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 73.3 110.845 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 m -71.0 148.0 48.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 74.22 110.925 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.9 m -57.58 179.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 75.41 110.913 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -54.79 140.88 34.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.865 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.01 -20.26 46.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 74.43 112.494 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 mt -124.94 158.9 32.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 71.31 110.927 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 m -135.98 137.03 40.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 72.2 111.1 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.3 t -69.52 87.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 62.33 110.923 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -101.17 148.49 25.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.52 110.898 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 66.9 m -137.99 114.13 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 75.34 110.912 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -107.27 100.43 9.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 71.31 110.924 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.87 -113.21 3.61 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 72.1 112.521 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.5 t -112.72 26.43 10.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 74.25 110.866 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -124.99 148.08 48.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.135 -0.484 . . . . 65.12 110.896 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.9 m -139.91 105.77 5.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 72.55 110.89 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.1 149.32 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 72.41 111.085 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 78.1 m -75.88 129.99 37.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 53.41 110.867 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 65.24 110.88 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.903 0.382 . . . . 72.33 110.855 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.98 160.75 19.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 44.33 111.1 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -112.05 176.79 4.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 55.21 110.891 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -55.16 122.63 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 73.14 110.848 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.14 -19.74 47.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.757 . . . . 65.54 112.477 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.7 mm -76.47 100.56 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 72.32 111.137 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -54.91 131.52 44.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 71.31 110.952 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.48 137.08 54.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 62.3 110.897 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -94.3 -50.72 5.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 71.02 110.82 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -133.59 4.64 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 60.31 110.922 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.7 tt -102.79 156.88 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 72.33 111.089 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -105.03 153.13 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 73.3 110.814 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.7 m -74.33 148.43 41.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.877 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.5 m -58.16 177.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.924 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 p -54.78 140.33 36.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.938 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.29 -22.56 34.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.784 -0.722 . . . . 74.43 112.448 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.4 mt -119.75 151.11 39.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.0 0.429 . . . . 71.31 110.839 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.4 m -126.8 134.51 50.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.137 -0.483 . . . . 72.2 111.086 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.97 87.05 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 62.33 110.836 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -86.89 146.63 26.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.88 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.7 m -138.03 114.39 10.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 75.34 110.895 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -112.09 96.16 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 71.31 110.885 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.73 -112.96 3.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 72.1 112.452 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.94 25.06 11.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.339 . . . . 74.25 110.782 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 t -125.06 151.82 45.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 65.12 110.856 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.4 m -139.96 105.06 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 72.55 110.871 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -135.42 149.95 28.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.16 -0.473 . . . . 72.41 111.124 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.4 m -75.93 131.37 39.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 53.41 110.96 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 65.24 110.903 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.741 0.305 . . . . 72.33 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.34 154.53 19.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 44.33 111.107 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -109.35 177.92 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 55.21 110.838 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -55.46 121.28 8.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 73.14 110.85 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.22 -19.51 49.32 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.774 -0.727 . . . . 65.54 112.551 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.0 mm -76.13 100.9 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.964 0.412 . . . . 72.32 111.146 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HG3' HG22 ' A' ' 29' ' ' VAL . 31.7 mtpt -54.83 132.24 45.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 71.31 110.883 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.93 137.03 54.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 62.3 110.889 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 48.3 m170 -94.21 -50.65 5.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 71.02 110.878 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -133.68 4.65 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 60.31 110.897 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.2 tt -102.78 157.02 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 72.33 111.175 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -104.36 155.17 19.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 73.3 110.823 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.0 m -77.46 148.1 35.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.836 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.6 m -56.55 174.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 75.41 110.792 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 p -53.74 141.94 25.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.904 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.0 -24.3 30.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 74.43 112.475 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.9 mt -118.35 162.11 18.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 71.31 110.92 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.9 m -133.83 129.82 37.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 72.2 111.135 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.5 t -70.42 87.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 62.33 110.868 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -92.45 147.38 22.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.901 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 88.5 m -137.93 114.21 10.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 75.34 110.917 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -108.6 96.34 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 71.31 110.939 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.3 -113.03 3.9 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.768 -0.729 . . . . 72.1 112.491 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 p -111.99 24.96 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.916 0.389 . . . . 74.25 110.927 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -125.08 149.8 47.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 65.12 110.819 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.3 m -139.93 105.17 5.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 72.55 110.897 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.407 HG22 ' HG3' ' A' ' 9' ' ' LYS . 22.0 t -137.68 149.7 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 72.41 111.115 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 70.9 m -75.32 128.93 36.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 53.41 110.866 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 65.24 110.912 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.844 0.354 . . . . 72.33 110.856 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.79 153.01 21.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 44.33 111.128 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -108.07 178.94 4.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 55.21 110.889 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -57.43 120.99 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.832 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.36 -19.58 49.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 65.54 112.575 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.2 mm -76.11 101.55 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.969 0.414 . . . . 72.32 111.157 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -55.21 133.67 49.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 71.31 110.843 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.86 137.01 54.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 62.3 110.893 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -94.17 -50.76 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 71.02 110.868 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -133.6 4.58 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 60.31 110.899 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 tt -102.74 156.82 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 72.33 111.085 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -104.59 155.42 18.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 73.3 110.897 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.9 m -76.31 147.67 38.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 74.22 110.853 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.2 m -56.35 175.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.891 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.7 t -52.96 140.3 25.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.875 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.59 -25.88 20.86 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 74.43 112.512 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.3 mt -114.09 161.13 18.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 71.31 110.924 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 m -135.14 134.68 40.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 72.2 111.109 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.9 t -71.8 87.0 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 62.33 110.872 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -88.91 144.91 25.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.52 110.906 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.6 m -137.78 114.83 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 75.34 110.903 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -112.79 97.88 6.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 71.31 110.909 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.37 -113.03 3.76 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.808 -0.71 . . . . 72.1 112.42 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -112.1 25.15 11.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 74.25 110.824 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 t -125.05 149.94 47.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 65.12 110.865 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 54.9 m -140.06 105.02 4.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 72.55 110.873 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p -137.62 151.7 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 72.41 111.182 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.9 m -75.68 128.22 34.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 53.41 110.871 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 65.24 110.87 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.851 0.358 . . . . 72.33 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.94 157.47 20.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 44.33 111.073 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -110.65 177.72 4.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 55.21 110.933 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -55.6 121.98 10.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 73.14 110.932 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.73 -19.89 48.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 65.54 112.465 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.4 mm -76.26 101.69 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 72.32 111.194 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -55.86 131.4 46.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 71.31 110.924 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -120.06 137.07 54.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 62.3 110.824 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -94.26 -50.66 5.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 71.02 110.833 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -133.69 4.6 3.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 60.31 110.81 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.3 tt -102.64 156.81 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 72.33 111.121 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -104.89 152.63 22.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.873 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.7 m -74.0 148.34 42.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.845 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.7 m -57.33 177.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 75.41 110.827 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.1 p -56.53 139.13 50.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 74.44 110.924 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.25 -29.21 12.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 74.43 112.526 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 mt -110.66 163.61 13.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 71.31 110.945 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.0 m -134.4 123.38 23.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 72.2 111.18 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.22 87.01 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 62.33 110.843 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -95.5 147.91 23.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 73.52 110.9 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.9 m -135.28 115.37 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 75.34 110.901 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -110.22 96.38 6.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 71.31 110.881 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.91 -113.07 3.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 72.1 112.448 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.2 p -112.77 25.2 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 74.25 110.876 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 t -125.07 148.46 48.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 65.12 110.823 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.1 m -140.07 105.16 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 72.55 110.838 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.6 t -138.4 149.4 24.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 72.41 111.099 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.2 m -75.41 132.94 41.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 53.41 110.854 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 65.24 110.865 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.871 0.367 . . . . 72.33 110.838 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.31 155.38 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 44.33 111.046 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -108.1 179.5 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 55.21 110.858 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 120.74 8.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 73.14 110.925 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.18 -19.83 49.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 65.54 112.544 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.8 mm -76.21 101.04 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 72.32 111.125 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -54.5 136.79 44.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 71.31 110.848 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -125.19 137.03 54.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 62.3 110.903 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -94.27 -50.62 5.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 71.02 110.908 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -133.63 4.57 3.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 60.31 110.931 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.6 tt -102.71 156.91 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 72.33 111.117 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -104.64 153.86 20.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 73.3 110.877 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.4 m -74.86 147.32 41.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.22 110.893 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.6 m -56.13 174.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 75.41 110.869 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.1 p -53.72 137.78 36.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.867 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.66 -25.0 29.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.725 -0.75 . . . . 74.43 112.439 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -116.99 154.57 30.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.401 . . . . 71.31 110.898 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.5 m -125.64 137.7 53.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 72.2 111.162 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 t -77.4 86.95 3.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 62.33 110.941 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -90.53 148.97 22.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.863 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.6 m -137.89 114.16 10.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.901 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -108.9 102.57 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.31 110.926 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.13 -112.94 3.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 72.1 112.497 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -111.87 24.81 12.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 74.25 110.797 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -125.05 151.85 45.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 65.12 110.848 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.1 m -140.07 105.0 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 72.55 110.834 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -136.25 151.69 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 72.41 111.148 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 91.9 m -75.19 134.34 41.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 53.41 110.854 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 65.24 110.853 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.87 0.367 . . . . 72.33 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.61 158.87 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 44.33 111.148 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -110.0 177.39 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 55.21 110.895 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -55.58 122.18 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.868 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.51 -20.33 44.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 65.54 112.49 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.5 mm -76.38 101.59 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.931 0.396 . . . . 72.32 111.117 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -55.71 133.05 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 71.31 110.877 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.04 137.14 54.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 62.3 110.848 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -94.26 -50.66 5.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 71.02 110.868 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -133.66 4.7 3.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 60.31 110.902 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 tt -102.87 156.95 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 72.33 111.125 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -104.63 153.69 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 73.3 110.84 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.0 m -73.86 147.38 43.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.823 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -56.88 177.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 75.41 110.873 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -57.4 136.51 56.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.837 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.45 -29.32 12.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 74.43 112.512 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 mt -110.81 165.62 11.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 71.31 110.897 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.9 m -135.6 127.96 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 72.2 111.14 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.4 t -74.23 87.05 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 62.33 110.863 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -92.84 148.08 22.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.827 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.0 m -136.58 114.71 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 75.34 110.959 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -111.5 95.41 5.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 71.31 110.884 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.56 -112.99 3.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 72.1 112.451 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -112.68 24.83 12.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 74.25 110.823 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 t -125.03 146.57 49.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 65.12 110.873 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.4 m -139.83 107.41 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 72.55 110.841 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -141.76 151.56 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.082 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 98.3 m -75.45 130.98 39.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.122 -0.49 . . . . 53.41 110.848 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 65.24 110.833 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.8 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.896 0.379 . . . . 72.33 110.849 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.53 154.09 21.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 44.33 111.1 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -108.5 178.79 4.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 55.21 110.921 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 121.47 9.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 73.14 110.904 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.97 -19.56 48.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.728 . . . . 65.54 112.526 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.6 mm -76.03 100.62 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 72.32 111.16 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -54.92 132.61 47.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.862 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.82 137.1 54.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 62.3 110.87 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -94.19 -50.75 5.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 71.02 110.867 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -133.55 4.45 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 60.31 110.919 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 tt -102.6 156.92 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 72.33 111.112 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -103.52 155.09 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.3 110.838 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 m -78.33 148.25 33.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 74.22 110.88 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.0 m -56.78 174.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 75.41 110.875 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.1 p -53.4 142.33 22.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.875 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.78 -26.08 18.2 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.781 -0.723 . . . . 74.43 112.462 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -119.2 151.62 38.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.901 0.381 . . . . 71.31 110.818 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 m -126.2 136.86 53.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 72.2 111.189 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.5 t -70.03 87.16 0.56 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.459 . . . . 62.33 110.922 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -86.63 146.88 26.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 73.52 110.88 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.3 m -137.98 114.38 10.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 75.34 110.806 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -112.86 95.39 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 71.31 110.839 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.24 -113.04 3.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 72.1 112.468 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -111.73 24.89 12.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.913 0.387 . . . . 74.25 110.868 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m -125.03 151.74 45.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 65.12 110.88 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 m -140.07 105.04 4.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 72.55 110.828 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -135.38 149.91 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.173 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.3 m -75.31 120.97 21.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 53.41 110.894 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 65.24 110.902 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.824 0.345 . . . . 72.33 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.71 163.58 17.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 44.33 111.099 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -114.27 172.44 7.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 55.21 110.905 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 123.6 13.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.929 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.5 -18.21 55.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 65.54 112.482 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.6 mm -75.99 105.42 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 72.32 111.123 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.24 131.3 37.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 71.31 110.845 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -124.75 137.1 54.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 62.3 110.918 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -94.24 -50.73 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 71.02 110.811 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -133.48 4.31 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 60.31 110.881 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 tt -102.52 156.99 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 72.33 111.08 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -113.1 137.87 50.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 73.3 110.878 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.1 m -65.53 149.04 50.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.942 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.7 m -52.05 168.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.907 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 p -52.31 143.21 15.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.808 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.67 -19.6 44.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.729 . . . . 74.43 112.5 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.4 mt -120.95 171.21 8.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 71.31 110.894 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.1 m -136.63 124.7 22.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.2 111.179 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.8 t -78.58 87.18 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 62.33 110.929 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -100.23 148.97 24.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 73.52 110.917 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.6 m -129.25 114.28 16.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.34 110.938 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -106.21 123.57 48.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 71.31 110.888 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.16 -113.18 5.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 72.1 112.427 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -112.79 25.4 11.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.369 . . . . 74.25 110.797 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 m -124.99 151.97 44.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 65.12 110.863 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.6 m -137.36 105.01 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 72.55 110.955 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.43 151.74 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.116 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.8 m -84.73 142.93 29.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 53.41 110.856 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 65.24 110.821 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.834 0.35 . . . . 72.33 110.918 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.16 161.8 18.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 44.33 111.036 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -109.26 177.63 4.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 55.21 110.807 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -57.95 123.57 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 73.14 110.934 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.44 -20.45 43.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.736 . . . . 65.54 112.435 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.9 mm -76.38 103.41 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 72.32 111.166 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.36 132.42 50.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.438 . . . . 71.31 110.888 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.42 137.07 54.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 62.3 110.803 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -94.3 -50.66 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 71.02 110.791 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -133.68 4.72 3.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 60.31 110.906 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.7 tt -102.7 156.73 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 72.33 111.158 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -104.02 154.25 19.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 73.3 110.872 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.0 m -74.89 148.15 40.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.867 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.2 m -56.8 173.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 75.41 110.897 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 p -52.6 139.5 25.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.872 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.26 -29.23 11.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 74.43 112.519 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mt -116.15 161.69 18.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.826 0.346 . . . . 71.31 110.964 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.7 m -134.4 137.5 44.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 72.2 111.107 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -70.02 87.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 62.33 110.877 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -87.59 146.72 25.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 73.52 110.935 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.6 m -137.98 114.63 10.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 75.34 110.855 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -114.22 96.96 6.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 71.31 110.934 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.55 -113.0 3.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 72.1 112.46 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.4 t -112.95 24.98 11.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.859 0.362 . . . . 74.25 110.79 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -125.1 151.81 45.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 65.12 110.815 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 m -140.0 105.06 4.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.511 . . . . 72.55 110.874 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.45 149.63 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 72.41 111.138 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.29 122.52 23.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 53.41 110.897 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 65.24 110.86 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.856 0.36 . . . . 72.33 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.26 155.57 19.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 44.33 111.122 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -106.98 179.86 4.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 55.21 110.895 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -58.62 121.93 12.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 73.14 110.812 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.26 -19.88 47.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.741 . . . . 65.54 112.502 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.4 mm -76.14 102.14 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.918 0.39 . . . . 72.32 111.164 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -55.49 133.26 49.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 71.31 110.946 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.81 137.07 54.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 62.3 110.873 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -94.29 -50.62 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.839 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -133.68 4.56 3.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 60.31 110.881 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.2 tt -102.72 156.91 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 72.33 111.141 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -104.71 152.18 22.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 73.3 110.863 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 m -73.03 147.99 44.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.838 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.7 m -57.58 178.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 75.41 110.914 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.8 p -57.42 138.86 54.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 74.44 110.86 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.12 -25.55 26.5 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.713 -0.756 . . . . 74.43 112.469 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.3 mt -117.27 156.85 27.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.925 0.393 . . . . 71.31 110.902 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.7 m -128.32 138.09 52.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 72.2 111.087 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.9 t -78.77 87.03 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 62.33 110.861 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -93.79 146.67 23.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 73.52 110.885 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.6 m -137.94 114.11 10.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.891 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -108.87 102.19 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 71.31 110.908 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.56 -113.04 3.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 72.1 112.484 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -112.68 24.76 12.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 74.25 110.881 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 m -124.92 148.28 48.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 65.12 110.879 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.87 104.98 5.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 72.55 110.93 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -137.38 151.86 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 72.41 111.162 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.0 m -75.7 128.13 34.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 53.41 110.909 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 65.24 110.939 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.833 0.349 . . . . 72.33 110.916 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.94 155.17 19.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 44.33 111.12 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -110.5 177.85 4.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 55.21 110.924 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.87 122.1 10.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.14 110.919 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.21 -19.96 46.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 65.54 112.438 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.1 mm -76.08 103.33 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 72.32 111.174 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -57.35 132.01 51.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 71.31 110.881 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.99 137.1 54.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 62.3 110.885 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -94.22 -50.66 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 71.02 110.887 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -133.65 4.54 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 60.31 110.918 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.6 tt -102.62 156.94 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 72.33 111.163 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -103.24 153.87 19.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.3 110.876 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.7 m -78.09 147.68 34.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 74.22 110.846 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.3 m -56.27 175.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 75.41 110.839 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 p -55.95 145.1 26.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 74.44 110.88 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.44 -23.75 30.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 74.43 112.504 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.3 mt -118.22 163.87 16.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.93 0.395 . . . . 71.31 110.882 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -133.49 123.76 25.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 72.2 111.142 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.4 t -71.15 86.98 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 62.33 110.87 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -102.17 148.62 25.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 73.52 110.911 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.9 m -130.92 114.0 14.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 75.34 110.873 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -101.52 96.27 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 71.31 110.835 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.15 -113.08 3.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 72.1 112.43 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -111.58 24.51 12.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 74.25 110.848 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t -125.1 151.78 45.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 65.12 110.818 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.7 m -140.03 105.5 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 72.55 110.883 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 p -140.79 151.25 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 72.41 111.125 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.5 m -75.6 135.15 40.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 53.41 110.89 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.0 mmm-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 65.24 110.98 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.792 0.329 . . . . 72.33 110.921 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.64 159.26 19.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 44.33 111.075 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -109.64 177.47 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 55.21 110.876 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -55.61 123.0 12.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.509 . . . . 73.14 110.97 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.54 -19.78 48.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 65.54 112.486 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mm -76.04 103.96 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 72.32 111.1 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -57.44 131.82 51.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 71.31 110.829 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.32 137.0 54.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 62.3 110.864 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -94.25 -50.6 5.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 71.02 110.846 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -133.61 4.57 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 60.31 110.863 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.0 tt -102.73 156.68 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 72.33 111.088 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -102.78 155.87 18.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 73.3 110.862 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 m -79.05 148.76 32.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.894 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.9 m -54.87 172.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 75.41 110.914 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.9 p -52.57 142.22 18.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.887 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.99 -27.29 15.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 74.43 112.501 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 mt -117.5 154.05 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 71.31 110.974 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -128.33 136.07 50.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.269 -0.423 . . . . 72.2 111.172 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.0 t -68.68 87.09 0.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 62.33 110.875 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -91.39 147.61 22.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 73.52 110.866 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.1 m -137.89 115.84 11.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 75.34 110.891 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -112.24 98.64 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 71.31 110.887 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.73 -113.0 3.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 72.1 112.507 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 p -111.8 24.88 12.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.923 0.392 . . . . 74.25 110.864 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -125.02 152.03 44.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 65.12 110.891 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.6 m -139.59 105.03 5.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 72.55 110.878 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.4 149.75 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 72.41 111.11 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.1 m -77.31 111.15 12.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 53.41 110.861 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 65.24 110.872 -179.945 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.862 0.363 . . . . 72.33 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.63 160.8 18.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 44.33 111.073 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -112.96 169.92 8.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 55.21 110.903 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -53.23 121.92 8.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 73.14 110.935 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.37 -18.65 56.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 65.54 112.497 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.0 mm -76.04 106.27 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.383 . . . . 72.32 111.112 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -53.67 129.21 32.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 71.31 110.914 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -120.82 137.03 54.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 62.3 110.883 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -94.24 -50.68 5.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.887 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -133.62 4.76 3.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 60.31 110.911 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.3 tt -102.99 156.83 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 72.33 111.102 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -116.23 126.66 53.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 73.3 110.871 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.7 m -53.17 148.59 8.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.282 -0.417 . . . . 74.22 110.836 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m -53.26 171.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.865 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.0 t -52.2 142.68 16.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.849 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.73 -20.03 37.45 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 74.43 112.493 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mt -125.21 163.88 21.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.923 0.392 . . . . 71.31 110.882 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 m -129.93 119.13 22.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 72.2 111.162 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.8 t -70.22 87.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 62.33 110.876 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -94.52 148.42 22.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 73.52 110.956 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.3 m -130.64 114.87 15.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 75.34 110.883 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -111.8 126.82 55.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 71.31 110.953 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.8 -113.05 3.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 72.1 112.467 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.7 m -112.84 25.18 11.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 74.25 110.9 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -125.01 152.02 44.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 65.12 110.881 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.6 m -140.03 104.96 4.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 72.55 110.899 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.484 HG13 ' HD2' ' A' ' 31' ' ' ARG . 10.8 p -139.61 151.79 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 72.41 111.131 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 95.3 m -84.78 150.85 24.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 53.41 110.82 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.484 ' HD2' HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 65.24 110.946 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.895 0.379 . . . . 72.33 110.855 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.14 159.6 18.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 44.33 111.09 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -110.58 175.39 5.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 55.21 110.865 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -53.79 122.38 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.858 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.15 -19.83 47.05 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.699 -0.763 . . . . 65.54 112.514 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.0 mm -76.35 102.44 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 72.32 111.135 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -56.28 132.87 51.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 71.31 110.852 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.17 137.11 54.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 62.3 110.895 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -94.26 -50.69 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 71.02 110.827 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -133.69 4.77 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 60.31 110.841 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 tt -102.92 156.96 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 72.33 111.162 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -104.94 153.31 21.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 73.3 110.839 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.5 m -73.79 148.56 42.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 74.22 110.835 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.9 m -58.89 177.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 75.41 110.934 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -56.78 138.83 52.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.846 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.85 -26.03 25.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.677 -0.773 . . . . 74.43 112.484 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mt -115.74 164.53 14.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.913 0.387 . . . . 71.31 110.918 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.7 m -134.03 131.55 39.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 72.2 111.07 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.7 t -78.26 87.1 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 62.33 110.904 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -99.15 147.68 24.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 73.52 110.877 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 99.6 m -132.5 113.96 13.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.838 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -104.32 97.22 7.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 71.31 110.877 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.48 -112.94 3.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 72.1 112.583 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.5 m -112.81 24.62 12.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.356 . . . . 74.25 110.87 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.4 t -124.96 151.3 45.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 65.12 110.877 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.4 m -139.99 105.04 4.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 72.55 110.919 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 p -138.62 151.69 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 72.41 111.071 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.7 m -75.87 127.54 33.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 53.41 110.92 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 65.24 110.871 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.789 0.328 . . . . 72.33 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.01 155.54 19.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 44.33 111.123 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -108.26 179.12 4.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 55.21 110.898 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -57.21 120.92 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 73.14 110.873 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.39 -19.7 48.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.749 . . . . 65.54 112.464 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.4 mm -76.17 101.88 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.883 0.373 . . . . 72.32 111.146 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -55.73 133.1 50.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 71.31 110.864 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.7 137.08 54.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 62.3 110.816 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -94.22 -50.73 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 71.02 110.835 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -133.64 4.75 3.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 60.31 110.853 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.8 tt -102.92 156.97 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 72.33 111.113 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -103.98 154.88 19.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 73.3 110.817 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.1 m -76.76 147.82 37.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 74.22 110.889 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.2 m -57.29 177.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 75.41 110.91 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.72 139.83 49.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.884 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.02 -22.88 38.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 74.43 112.492 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mt -122.61 162.93 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 71.31 110.838 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.4 m -135.69 135.81 40.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 72.2 111.122 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -69.75 87.14 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 62.33 110.826 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -83.65 146.17 28.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 73.52 110.894 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.6 m -138.02 115.42 11.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 75.34 110.873 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -118.98 96.69 5.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.869 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.12 -112.98 3.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 72.1 112.489 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 t -112.74 24.44 12.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.871 0.367 . . . . 74.25 110.905 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -125.07 149.08 48.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 65.12 110.895 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.5 m -140.01 104.98 4.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 72.55 110.911 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -136.34 151.76 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 72.41 111.131 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.4 m -75.78 140.6 42.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 53.41 110.916 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 65.24 110.813 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.811 0.339 . . . . 72.33 110.937 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.15 154.45 20.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 44.33 111.091 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -106.12 179.34 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 55.21 110.874 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.09 121.15 9.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 73.14 110.924 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.09 -19.52 48.85 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.756 -0.735 . . . . 65.54 112.492 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.1 mm -76.3 102.35 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 72.32 111.077 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -55.26 136.82 48.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 71.31 110.943 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -124.48 137.15 54.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 62.3 110.862 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -94.31 -50.58 5.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 71.02 110.867 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -133.68 4.51 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 60.31 110.854 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.7 tt -102.57 156.82 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 72.33 111.114 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -104.4 153.75 20.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 73.3 110.846 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.5 m -76.38 147.36 38.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.867 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.0 m -57.55 178.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 75.41 110.925 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -57.31 139.82 51.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.849 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.68 -23.41 35.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.676 -0.773 . . . . 74.43 112.499 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 mt -121.09 156.06 33.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.358 . . . . 71.31 110.934 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.9 m -129.52 135.68 48.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 72.2 111.171 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.5 t -72.35 87.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 62.33 110.875 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -85.83 144.57 27.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.52 110.874 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.9 m -138.06 116.05 11.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.895 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -119.84 96.18 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 71.31 110.944 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.16 -112.99 3.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 72.1 112.428 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.6 p -112.63 24.72 12.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 74.25 110.866 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -125.07 145.54 49.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 65.12 110.801 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.3 m -140.02 105.06 4.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 72.55 110.854 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -138.84 151.57 23.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 72.41 111.089 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.3 m -74.9 139.4 43.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 53.41 110.914 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 65.24 110.845 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.528 -0.229 . . . . 75.51 112.528 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.668 ' O ' HD11 ' A' ' 13' ' ' ILE . 25.4 p90 -133.84 -176.04 4.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 74.3 110.929 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 p -145.07 156.9 44.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 72.33 110.928 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.35 149.08 25.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 44.33 111.129 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -98.1 178.02 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 55.21 110.87 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -55.37 121.54 9.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 73.14 110.874 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.36 -19.9 47.24 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 65.54 112.482 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.1 mm -77.29 104.36 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.958 0.409 . . . . 72.32 111.156 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.49 156.88 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 71.31 110.879 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -145.07 137.05 25.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 62.3 110.872 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -94.19 -50.68 5.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 71.02 110.882 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -133.65 4.69 3.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 60.31 110.92 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.668 HD11 ' O ' ' A' ' 2' ' ' TYR . 14.7 tt -102.89 156.93 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 72.33 111.108 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -104.96 153.03 21.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 73.3 110.861 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 m -73.11 148.82 43.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 74.22 110.911 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.3 m -57.97 178.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 75.41 110.859 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.1 p -54.73 140.88 34.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.86 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.41 -21.18 42.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.79 -0.719 . . . . 74.43 112.447 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.3 mt -123.72 157.68 33.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.861 0.362 . . . . 71.31 110.965 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.9 m -134.24 139.33 45.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 72.2 111.146 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.3 t -69.23 87.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 62.33 110.863 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -95.56 146.22 24.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.924 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.2 m -138.0 114.01 9.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.34 110.837 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.33 100.24 9.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.904 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.25 -113.01 3.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 72.1 112.448 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.9 m -111.58 26.38 10.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.886 0.374 . . . . 74.25 110.882 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -124.91 151.98 44.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 65.12 110.873 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.5 m -139.77 105.05 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 72.55 110.874 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.75 149.73 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 72.41 111.174 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.6 m -76.29 115.94 16.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 53.41 110.883 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -122.69 148.27 45.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 65.24 110.875 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 72.13 110.901 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.536 -0.225 . . . . 75.51 112.536 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -134.9 161.08 36.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.395 . . . . 74.3 110.931 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.7 p -165.92 152.06 9.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 72.33 110.89 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.409 ' HB1' ' HB ' ' A' ' 8' ' ' ILE . . . -85.82 152.57 22.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 44.33 111.04 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -101.26 -177.45 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 55.21 110.864 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -57.39 119.12 5.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 73.14 110.868 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.72 -20.13 46.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 65.54 112.485 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.409 ' HB ' ' HB1' ' A' ' 4' ' ' ALA . 42.0 mm -76.32 104.09 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.377 . . . . 72.32 111.112 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -54.31 159.63 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 71.31 110.887 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -147.2 137.02 23.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 62.3 110.907 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -94.19 -50.66 5.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 71.02 110.81 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -133.66 4.73 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 60.31 110.924 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.8 tt -102.86 156.86 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 72.33 111.158 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -104.03 154.43 19.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 73.3 110.844 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.2 m -74.32 148.84 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.894 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.8 m -54.71 173.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.864 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.0 m -53.02 138.57 30.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.44 110.816 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.02 -27.08 19.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 74.43 112.539 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mt -118.34 152.53 35.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 71.31 110.942 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -127.16 140.22 52.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 72.2 111.16 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.6 t -68.7 87.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 62.33 110.898 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -96.31 137.24 35.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 73.52 110.853 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.4 m -137.73 114.21 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 75.34 110.842 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -107.08 118.02 35.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 71.31 110.865 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 -113.06 5.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 72.1 112.527 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -110.89 26.7 10.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.39 . . . . 74.25 110.896 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -124.77 147.1 48.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 65.12 110.882 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 t -139.93 105.38 5.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 72.55 110.932 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -140.87 149.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 72.41 111.096 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 96.1 m -76.13 125.73 29.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 53.41 110.896 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 -140.19 153.21 46.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 65.24 110.89 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.868 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.476 -0.249 . . . . 75.51 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -103.14 134.01 47.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.915 0.388 . . . . 74.3 110.885 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.6 p -158.64 155.01 27.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 72.33 110.86 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.22 155.4 21.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 44.33 111.128 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -107.86 178.29 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 55.21 110.921 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -55.38 120.5 7.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.847 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.36 -20.02 48.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 65.54 112.531 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.2 mm -76.27 102.87 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 72.32 111.133 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -56.78 136.1 55.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 71.31 110.971 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -124.04 137.03 54.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 62.3 110.849 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -94.2 -50.64 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 71.02 110.906 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -133.69 4.74 3.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 60.31 110.93 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.4 tt -102.81 156.97 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 72.33 111.157 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -103.5 154.0 19.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 73.3 110.843 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.0 m -76.96 147.61 36.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.869 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.4 m -56.92 174.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 75.41 110.94 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.42 142.56 21.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.874 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.0 -29.43 10.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 74.43 112.457 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mt -115.0 159.99 20.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.875 0.369 . . . . 71.31 110.959 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.2 m -131.27 132.64 44.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 72.2 111.107 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.1 t -71.86 87.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 62.33 110.86 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -95.04 148.62 22.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.52 110.909 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.2 m -134.77 114.05 12.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 75.34 110.883 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -106.16 96.13 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 71.31 110.947 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.69 -113.02 3.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.803 -0.713 . . . . 72.1 112.462 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 t -111.65 25.08 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.347 . . . . 74.25 110.822 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -125.02 151.5 45.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 65.12 110.885 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.5 m -140.0 105.38 5.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 72.55 110.905 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -138.58 151.7 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.41 111.119 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 99.7 m -75.32 134.73 40.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 53.41 110.879 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -141.93 138.4 31.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 65.24 110.911 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.912 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.505 -0.238 . . . . 75.51 112.505 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -82.02 151.22 27.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.915 0.388 . . . . 74.3 110.91 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.8 p -168.94 153.32 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 72.33 110.897 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.421 ' HB1' ' HB ' ' A' ' 8' ' ' ILE . . . -86.96 151.91 22.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 44.33 111.132 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -97.46 -178.86 4.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 55.21 110.891 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -58.6 122.87 14.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 73.14 110.842 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.18 -19.85 47.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.671 -0.776 . . . . 65.54 112.475 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.421 ' HB ' ' HB1' ' A' ' 4' ' ' ALA . 44.8 mm -78.92 103.54 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.943 0.401 . . . . 72.32 111.134 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -52.77 158.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 71.31 110.909 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -145.0 137.1 25.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 62.3 110.9 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -94.28 -50.64 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 71.02 110.856 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -133.69 4.67 3.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 60.31 110.842 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.0 tt -102.77 156.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.33 111.13 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -104.27 152.16 22.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 73.3 110.845 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 m -71.0 148.0 48.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 74.22 110.925 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.9 m -57.58 179.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 75.41 110.913 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -54.79 140.88 34.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.865 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.01 -20.26 46.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 74.43 112.494 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 mt -124.94 158.9 32.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 71.31 110.927 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 m -135.98 137.03 40.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 72.2 111.1 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.3 t -69.52 87.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 62.33 110.923 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -101.17 148.49 25.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.52 110.898 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 66.9 m -137.99 114.13 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 75.34 110.912 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -107.27 100.43 9.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 71.31 110.924 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.87 -113.21 3.61 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 72.1 112.521 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.5 t -112.72 26.43 10.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 74.25 110.866 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -124.99 148.08 48.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.135 -0.484 . . . . 65.12 110.896 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.9 m -139.91 105.77 5.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 72.55 110.89 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.1 149.32 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 72.41 111.085 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 78.1 m -75.88 129.99 37.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 53.41 110.867 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -137.6 155.76 48.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 65.24 110.88 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 72.13 110.908 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.451 -0.26 . . . . 75.51 112.451 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -132.35 146.25 51.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 74.3 110.967 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 p -166.31 155.47 11.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.855 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.98 160.75 19.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 44.33 111.1 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -112.05 176.79 4.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 55.21 110.891 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -55.16 122.63 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 73.14 110.848 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.14 -19.74 47.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.757 . . . . 65.54 112.477 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.7 mm -76.47 100.56 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 72.32 111.137 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -54.91 131.52 44.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 71.31 110.952 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.48 137.08 54.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 62.3 110.897 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -94.3 -50.72 5.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 71.02 110.82 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -133.59 4.64 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 60.31 110.922 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.7 tt -102.79 156.88 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 72.33 111.089 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -105.03 153.13 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 73.3 110.814 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.7 m -74.33 148.43 41.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.877 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.5 m -58.16 177.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.924 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 p -54.78 140.33 36.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.938 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.29 -22.56 34.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.784 -0.722 . . . . 74.43 112.448 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.4 mt -119.75 151.11 39.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.0 0.429 . . . . 71.31 110.839 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.4 m -126.8 134.51 50.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.137 -0.483 . . . . 72.2 111.086 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.97 87.05 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 62.33 110.836 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -86.89 146.63 26.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.88 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.7 m -138.03 114.39 10.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 75.34 110.895 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -112.09 96.16 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 71.31 110.885 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.73 -112.96 3.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 72.1 112.452 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.94 25.06 11.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.339 . . . . 74.25 110.782 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 t -125.06 151.82 45.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 65.12 110.856 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.4 m -139.96 105.06 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 72.55 110.871 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -135.42 149.95 28.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.16 -0.473 . . . . 72.41 111.124 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.4 m -75.93 131.37 39.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 53.41 110.96 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -141.53 142.0 33.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 65.24 110.903 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 72.13 110.892 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.537 -0.225 . . . . 75.51 112.537 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.414 ' CE2' HD12 ' A' ' 13' ' ' ILE . 27.0 p90 -133.45 158.11 43.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.957 0.408 . . . . 74.3 110.935 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.3 p -147.87 169.3 20.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 72.33 110.951 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.34 154.53 19.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 44.33 111.107 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -109.35 177.92 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 55.21 110.838 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -55.46 121.28 8.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 73.14 110.85 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.22 -19.51 49.32 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.774 -0.727 . . . . 65.54 112.551 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.0 mm -76.13 100.9 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.964 0.412 . . . . 72.32 111.146 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HG3' HG22 ' A' ' 29' ' ' VAL . 31.7 mtpt -54.83 132.24 45.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 71.31 110.883 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.93 137.03 54.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 62.3 110.889 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 48.3 m170 -94.21 -50.65 5.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 71.02 110.878 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -133.68 4.65 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 60.31 110.897 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.414 HD12 ' CE2' ' A' ' 2' ' ' TYR . 14.2 tt -102.78 157.02 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 72.33 111.175 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -104.36 155.17 19.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 73.3 110.823 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.0 m -77.46 148.1 35.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.836 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.6 m -56.55 174.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 75.41 110.792 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 p -53.74 141.94 25.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.904 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.0 -24.3 30.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 74.43 112.475 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.9 mt -118.35 162.11 18.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 71.31 110.92 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.9 m -133.83 129.82 37.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 72.2 111.135 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.5 t -70.42 87.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 62.33 110.868 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -92.45 147.38 22.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.901 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 88.5 m -137.93 114.21 10.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 75.34 110.917 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -108.6 96.34 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 71.31 110.939 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.3 -113.03 3.9 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.768 -0.729 . . . . 72.1 112.491 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 p -111.99 24.96 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.916 0.389 . . . . 74.25 110.927 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -125.08 149.8 47.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 65.12 110.819 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.3 m -139.93 105.17 5.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 72.55 110.897 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.407 HG22 ' HG3' ' A' ' 9' ' ' LYS . 22.0 t -137.68 149.7 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 72.41 111.115 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 70.9 m -75.32 128.93 36.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 53.41 110.866 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -141.03 132.11 26.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 65.24 110.912 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 72.13 110.922 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.495 -0.242 . . . . 75.51 112.495 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.702 ' O ' HD11 ' A' ' 13' ' ' ILE . 36.5 p90 -143.39 -179.47 6.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.926 0.393 . . . . 74.3 110.941 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 p -140.89 161.17 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 72.33 110.856 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.79 153.01 21.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 44.33 111.128 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -108.07 178.94 4.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 55.21 110.889 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -57.43 120.99 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.832 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.36 -19.58 49.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 65.54 112.575 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.2 mm -76.11 101.55 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.969 0.414 . . . . 72.32 111.157 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -55.21 133.67 49.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 71.31 110.843 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.86 137.01 54.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 62.3 110.893 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -94.17 -50.76 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 71.02 110.868 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -133.6 4.58 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 60.31 110.899 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.702 HD11 ' O ' ' A' ' 2' ' ' TYR . 10.4 tt -102.74 156.82 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 72.33 111.085 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -104.59 155.42 18.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 73.3 110.897 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.9 m -76.31 147.67 38.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 74.22 110.853 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.2 m -56.35 175.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.891 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.7 t -52.96 140.3 25.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.875 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.59 -25.88 20.86 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 74.43 112.512 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.3 mt -114.09 161.13 18.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 71.31 110.924 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 m -135.14 134.68 40.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 72.2 111.109 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.9 t -71.8 87.0 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 62.33 110.872 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -88.91 144.91 25.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.52 110.906 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.6 m -137.78 114.83 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 75.34 110.903 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -112.79 97.88 6.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 71.31 110.909 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.37 -113.03 3.76 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.808 -0.71 . . . . 72.1 112.42 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -112.1 25.15 11.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 74.25 110.824 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 t -125.05 149.94 47.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 65.12 110.865 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 54.9 m -140.06 105.02 4.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 72.55 110.873 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p -137.62 151.7 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 72.41 111.182 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.9 m -75.68 128.22 34.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 53.41 110.871 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -141.81 131.53 24.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 65.24 110.87 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 72.13 110.918 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.527 -0.229 . . . . 75.51 112.527 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.687 ' O ' HD11 ' A' ' 13' ' ' ILE . 15.0 p90 -111.71 178.13 4.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.922 0.392 . . . . 74.3 110.913 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 p -140.9 156.48 46.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 72.33 110.86 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.94 157.47 20.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 44.33 111.073 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -110.65 177.72 4.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 55.21 110.933 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -55.6 121.98 10.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 73.14 110.932 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.73 -19.89 48.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 65.54 112.465 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.4 mm -76.26 101.69 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 72.32 111.194 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -55.86 131.4 46.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 71.31 110.924 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -120.06 137.07 54.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 62.3 110.824 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -94.26 -50.66 5.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 71.02 110.833 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -133.69 4.6 3.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 60.31 110.81 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.687 HD11 ' O ' ' A' ' 2' ' ' TYR . 13.3 tt -102.64 156.81 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 72.33 111.121 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -104.89 152.63 22.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.873 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.7 m -74.0 148.34 42.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.845 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.7 m -57.33 177.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 75.41 110.827 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.1 p -56.53 139.13 50.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 74.44 110.924 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.25 -29.21 12.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 74.43 112.526 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 mt -110.66 163.61 13.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 71.31 110.945 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.0 m -134.4 123.38 23.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 72.2 111.18 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.22 87.01 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 62.33 110.843 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -95.5 147.91 23.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 73.52 110.9 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.9 m -135.28 115.37 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 75.34 110.901 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -110.22 96.38 6.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 71.31 110.881 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.91 -113.07 3.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 72.1 112.448 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.2 p -112.77 25.2 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 74.25 110.876 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 t -125.07 148.46 48.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 65.12 110.823 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.1 m -140.07 105.16 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 72.55 110.838 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.6 t -138.4 149.4 24.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 72.41 111.099 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.2 m -75.41 132.94 41.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 53.41 110.854 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -141.68 141.01 33.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 65.24 110.865 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 72.13 110.906 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.459 -0.256 . . . . 75.51 112.459 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -145.95 128.64 16.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.899 0.38 . . . . 74.3 110.938 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 p -151.49 158.5 43.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 72.33 110.838 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.31 155.38 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 44.33 111.046 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -108.1 179.5 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 55.21 110.858 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 120.74 8.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 73.14 110.925 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.18 -19.83 49.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 65.54 112.544 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.8 mm -76.21 101.04 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 72.32 111.125 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -54.5 136.79 44.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 71.31 110.848 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -125.19 137.03 54.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 62.3 110.903 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -94.27 -50.62 5.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 71.02 110.908 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -133.63 4.57 3.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 60.31 110.931 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.6 tt -102.71 156.91 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 72.33 111.117 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -104.64 153.86 20.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 73.3 110.877 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.4 m -74.86 147.32 41.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.22 110.893 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.6 m -56.13 174.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 75.41 110.869 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.1 p -53.72 137.78 36.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.867 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.66 -25.0 29.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.725 -0.75 . . . . 74.43 112.439 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -116.99 154.57 30.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.401 . . . . 71.31 110.898 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.5 m -125.64 137.7 53.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 72.2 111.162 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 t -77.4 86.95 3.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 62.33 110.941 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -90.53 148.97 22.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.863 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.6 m -137.89 114.16 10.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.901 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -108.9 102.57 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.31 110.926 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.13 -112.94 3.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 72.1 112.497 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -111.87 24.81 12.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 74.25 110.797 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -125.05 151.85 45.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 65.12 110.848 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.1 m -140.07 105.0 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 72.55 110.834 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -136.25 151.69 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 72.41 111.148 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 91.9 m -75.19 134.34 41.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 53.41 110.854 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -141.7 132.98 26.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 65.24 110.853 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 72.13 110.879 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 N-CA-C 112.463 -0.255 . . . . 75.51 112.463 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -91.3 154.57 19.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.923 0.392 . . . . 74.3 110.926 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.3 p -168.01 156.27 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 72.33 110.881 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.61 158.87 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 44.33 111.148 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -110.0 177.39 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 55.21 110.895 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -55.58 122.18 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.868 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.51 -20.33 44.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 65.54 112.49 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.5 mm -76.38 101.59 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.931 0.396 . . . . 72.32 111.117 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -55.71 133.05 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 71.31 110.877 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.04 137.14 54.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 62.3 110.848 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -94.26 -50.66 5.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 71.02 110.868 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -133.66 4.7 3.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 60.31 110.902 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 tt -102.87 156.95 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 72.33 111.125 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -104.63 153.69 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 73.3 110.84 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.0 m -73.86 147.38 43.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.823 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -56.88 177.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 75.41 110.873 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -57.4 136.51 56.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.837 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.45 -29.32 12.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 74.43 112.512 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 mt -110.81 165.62 11.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 71.31 110.897 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.9 m -135.6 127.96 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 72.2 111.14 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.4 t -74.23 87.05 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 62.33 110.863 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -92.84 148.08 22.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.827 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.0 m -136.58 114.71 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 75.34 110.959 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -111.5 95.41 5.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 71.31 110.884 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.56 -112.99 3.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 72.1 112.451 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -112.68 24.83 12.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 74.25 110.823 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 t -125.03 146.57 49.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 65.12 110.873 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.4 m -139.83 107.41 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 72.55 110.841 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -141.76 151.56 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.082 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 98.3 m -75.45 130.98 39.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.122 -0.49 . . . . 53.41 110.848 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -141.84 131.36 23.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 65.24 110.833 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.4 tttt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.13 110.825 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.425 -0.27 . . . . 75.51 112.425 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.506 ' O ' HD11 ' A' ' 13' ' ' ILE . 20.5 p90 -68.29 -175.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.951 0.405 . . . . 74.3 110.909 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.8 p -144.64 162.88 35.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 72.33 110.849 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.53 154.09 21.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 44.33 111.1 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -108.5 178.79 4.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 55.21 110.921 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 121.47 9.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 73.14 110.904 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.97 -19.56 48.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.728 . . . . 65.54 112.526 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.6 mm -76.03 100.62 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 72.32 111.16 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -54.92 132.61 47.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.862 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.82 137.1 54.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 62.3 110.87 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -94.19 -50.75 5.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 71.02 110.867 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -133.55 4.45 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 60.31 110.919 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.506 HD11 ' O ' ' A' ' 2' ' ' TYR . 12.5 tt -102.6 156.92 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 72.33 111.112 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -103.52 155.09 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.3 110.838 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 m -78.33 148.25 33.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 74.22 110.88 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.0 m -56.78 174.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 75.41 110.875 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.1 p -53.4 142.33 22.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.875 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.78 -26.08 18.2 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.781 -0.723 . . . . 74.43 112.462 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -119.2 151.62 38.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.901 0.381 . . . . 71.31 110.818 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 m -126.2 136.86 53.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 72.2 111.189 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.5 t -70.03 87.16 0.56 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.459 . . . . 62.33 110.922 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -86.63 146.88 26.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 73.52 110.88 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.3 m -137.98 114.38 10.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 75.34 110.806 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -112.86 95.39 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 71.31 110.839 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.24 -113.04 3.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 72.1 112.468 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -111.73 24.89 12.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.913 0.387 . . . . 74.25 110.868 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m -125.03 151.74 45.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 65.12 110.88 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 m -140.07 105.04 4.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 72.55 110.828 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -135.38 149.91 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.173 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.3 m -75.31 120.97 21.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 53.41 110.894 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -137.42 143.83 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 65.24 110.902 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.6 tttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 72.13 110.957 179.892 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.476 -0.25 . . . . 75.51 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -75.73 141.54 42.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.949 0.404 . . . . 74.3 110.914 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.8 p -145.6 160.72 41.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 72.33 110.895 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.71 163.58 17.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 44.33 111.099 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -114.27 172.44 7.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 55.21 110.905 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 123.6 13.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.929 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.5 -18.21 55.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 65.54 112.482 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.6 mm -75.99 105.42 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 72.32 111.123 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.24 131.3 37.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 71.31 110.845 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -124.75 137.1 54.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 62.3 110.918 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -94.24 -50.73 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 71.02 110.811 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -133.48 4.31 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 60.31 110.881 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 tt -102.52 156.99 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 72.33 111.08 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -113.1 137.87 50.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 73.3 110.878 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.1 m -65.53 149.04 50.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.942 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.7 m -52.05 168.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.907 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 p -52.31 143.21 15.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.808 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.67 -19.6 44.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.729 . . . . 74.43 112.5 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.4 mt -120.95 171.21 8.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 71.31 110.894 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.1 m -136.63 124.7 22.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.2 111.179 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.8 t -78.58 87.18 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 62.33 110.929 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -100.23 148.97 24.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 73.52 110.917 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.6 m -129.25 114.28 16.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.34 110.938 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -106.21 123.57 48.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 71.31 110.888 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.16 -113.18 5.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 72.1 112.427 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -112.79 25.4 11.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.369 . . . . 74.25 110.797 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 m -124.99 151.97 44.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 65.12 110.863 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.6 m -137.36 105.01 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 72.55 110.955 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.43 151.74 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.116 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.8 m -84.73 142.93 29.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 53.41 110.856 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 -141.48 127.88 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 65.24 110.821 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 72.13 110.82 179.916 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.518 -0.233 . . . . 75.51 112.518 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -157.25 151.3 24.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.379 . . . . 74.3 110.949 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.3 p -149.57 151.2 33.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.506 . . . . 72.33 110.918 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.16 161.8 18.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 44.33 111.036 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -109.26 177.63 4.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 55.21 110.807 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -57.95 123.57 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 73.14 110.934 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.44 -20.45 43.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.736 . . . . 65.54 112.435 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.9 mm -76.38 103.41 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 72.32 111.166 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.36 132.42 50.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.438 . . . . 71.31 110.888 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.42 137.07 54.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 62.3 110.803 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -94.3 -50.66 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 71.02 110.791 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -133.68 4.72 3.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 60.31 110.906 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.7 tt -102.7 156.73 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 72.33 111.158 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -104.02 154.25 19.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 73.3 110.872 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.0 m -74.89 148.15 40.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.867 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.2 m -56.8 173.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 75.41 110.897 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 p -52.6 139.5 25.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.872 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.26 -29.23 11.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 74.43 112.519 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mt -116.15 161.69 18.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.826 0.346 . . . . 71.31 110.964 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.7 m -134.4 137.5 44.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 72.2 111.107 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -70.02 87.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 62.33 110.877 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -87.59 146.72 25.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 73.52 110.935 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.6 m -137.98 114.63 10.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 75.34 110.855 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -114.22 96.96 6.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 71.31 110.934 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.55 -113.0 3.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 72.1 112.46 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.4 t -112.95 24.98 11.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.859 0.362 . . . . 74.25 110.79 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -125.1 151.81 45.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 65.12 110.815 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 m -140.0 105.06 4.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.511 . . . . 72.55 110.874 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.45 149.63 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 72.41 111.138 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.29 122.52 23.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 53.41 110.897 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -136.97 140.82 42.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 65.24 110.86 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 72.13 110.884 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.549 -0.22 . . . . 75.51 112.549 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -152.29 -179.96 8.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.0 0.429 . . . . 74.3 110.911 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 p -149.65 164.97 33.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.104 -0.498 . . . . 72.33 110.848 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.26 155.57 19.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 44.33 111.122 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -106.98 179.86 4.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 55.21 110.895 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -58.62 121.93 12.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 73.14 110.812 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.26 -19.88 47.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.741 . . . . 65.54 112.502 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.4 mm -76.14 102.14 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.918 0.39 . . . . 72.32 111.164 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -55.49 133.26 49.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 71.31 110.946 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.81 137.07 54.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 62.3 110.873 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -94.29 -50.62 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.839 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -133.68 4.56 3.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 60.31 110.881 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.2 tt -102.72 156.91 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 72.33 111.141 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -104.71 152.18 22.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 73.3 110.863 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 m -73.03 147.99 44.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.838 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.7 m -57.58 178.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 75.41 110.914 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.8 p -57.42 138.86 54.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 74.44 110.86 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.12 -25.55 26.5 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.713 -0.756 . . . . 74.43 112.469 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.3 mt -117.27 156.85 27.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.925 0.393 . . . . 71.31 110.902 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.7 m -128.32 138.09 52.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 72.2 111.087 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.9 t -78.77 87.03 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 62.33 110.861 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -93.79 146.67 23.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 73.52 110.885 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.6 m -137.94 114.11 10.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.891 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -108.87 102.19 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 71.31 110.908 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.56 -113.04 3.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 72.1 112.484 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -112.68 24.76 12.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 74.25 110.881 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 m -124.92 148.28 48.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 65.12 110.879 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.87 104.98 5.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 72.55 110.93 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -137.38 151.86 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 72.41 111.162 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.0 m -75.7 128.13 34.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 53.41 110.909 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 -141.94 136.27 30.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 65.24 110.939 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.864 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.499 -0.24 . . . . 75.51 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.423 ' CE2' HD12 ' A' ' 13' ' ' ILE . 22.7 p90 -151.1 148.51 28.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.895 0.379 . . . . 74.3 111.014 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 p -153.78 169.34 23.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 72.33 110.916 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.94 155.17 19.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 44.33 111.12 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -110.5 177.85 4.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 55.21 110.924 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.87 122.1 10.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.14 110.919 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.21 -19.96 46.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 65.54 112.438 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.1 mm -76.08 103.33 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 72.32 111.174 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -57.35 132.01 51.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 71.31 110.881 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.99 137.1 54.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 62.3 110.885 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -94.22 -50.66 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 71.02 110.887 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -133.65 4.54 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 60.31 110.918 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.423 HD12 ' CE2' ' A' ' 2' ' ' TYR . 16.6 tt -102.62 156.94 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 72.33 111.163 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -103.24 153.87 19.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.3 110.876 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.7 m -78.09 147.68 34.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 74.22 110.846 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.3 m -56.27 175.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 75.41 110.839 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 p -55.95 145.1 26.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 74.44 110.88 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.44 -23.75 30.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 74.43 112.504 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.3 mt -118.22 163.87 16.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.93 0.395 . . . . 71.31 110.882 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -133.49 123.76 25.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 72.2 111.142 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.4 t -71.15 86.98 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 62.33 110.87 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -102.17 148.62 25.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 73.52 110.911 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.9 m -130.92 114.0 14.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 75.34 110.873 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -101.52 96.27 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 71.31 110.835 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.15 -113.08 3.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 72.1 112.43 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -111.58 24.51 12.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 74.25 110.848 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t -125.1 151.78 45.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 65.12 110.818 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.7 m -140.03 105.5 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 72.55 110.883 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 p -140.79 151.25 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 72.41 111.125 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.5 m -75.6 135.15 40.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 53.41 110.89 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.0 mmm-85 -141.53 133.82 28.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 65.24 110.98 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 72.13 110.901 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 N-CA-C 112.497 -0.241 . . . . 75.51 112.497 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -152.02 126.2 9.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.941 0.4 . . . . 74.3 110.929 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 p -152.04 151.76 31.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.921 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.64 159.26 19.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 44.33 111.075 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -109.64 177.47 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 55.21 110.876 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -55.61 123.0 12.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.509 . . . . 73.14 110.97 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.54 -19.78 48.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 65.54 112.486 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mm -76.04 103.96 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 72.32 111.1 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -57.44 131.82 51.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 71.31 110.829 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.32 137.0 54.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 62.3 110.864 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -94.25 -50.6 5.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 71.02 110.846 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -133.61 4.57 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 60.31 110.863 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.0 tt -102.73 156.68 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 72.33 111.088 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -102.78 155.87 18.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 73.3 110.862 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 m -79.05 148.76 32.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.894 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.9 m -54.87 172.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 75.41 110.914 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.9 p -52.57 142.22 18.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.887 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.99 -27.29 15.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 74.43 112.501 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 mt -117.5 154.05 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 71.31 110.974 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -128.33 136.07 50.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.269 -0.423 . . . . 72.2 111.172 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.0 t -68.68 87.09 0.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 62.33 110.875 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -91.39 147.61 22.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 73.52 110.866 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.1 m -137.89 115.84 11.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 75.34 110.891 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -112.24 98.64 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 71.31 110.887 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.73 -113.0 3.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 72.1 112.507 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 p -111.8 24.88 12.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.923 0.392 . . . . 74.25 110.864 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -125.02 152.03 44.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 65.12 110.891 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.6 m -139.59 105.03 5.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 72.55 110.878 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.4 149.75 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 72.41 111.11 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.1 m -77.31 111.15 12.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 53.41 110.861 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -133.15 144.94 50.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 65.24 110.872 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 72.13 110.869 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.5 -0.24 . . . . 75.51 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.422 ' O ' HD11 ' A' ' 13' ' ' ILE . 50.0 p90 -146.04 164.46 32.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.892 0.377 . . . . 74.3 110.928 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p -136.71 156.4 48.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 72.33 110.871 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.63 160.8 18.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 44.33 111.073 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -112.96 169.92 8.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 55.21 110.903 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -53.23 121.92 8.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 73.14 110.935 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.37 -18.65 56.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 65.54 112.497 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.0 mm -76.04 106.27 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.383 . . . . 72.32 111.112 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -53.67 129.21 32.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 71.31 110.914 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -120.82 137.03 54.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 62.3 110.883 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -94.24 -50.68 5.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.887 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -133.62 4.76 3.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 60.31 110.911 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.422 HD11 ' O ' ' A' ' 2' ' ' TYR . 10.3 tt -102.99 156.83 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 72.33 111.102 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -116.23 126.66 53.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 73.3 110.871 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.7 m -53.17 148.59 8.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.282 -0.417 . . . . 74.22 110.836 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m -53.26 171.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.865 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.0 t -52.2 142.68 16.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.849 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.73 -20.03 37.45 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 74.43 112.493 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mt -125.21 163.88 21.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.923 0.392 . . . . 71.31 110.882 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 m -129.93 119.13 22.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 72.2 111.162 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.8 t -70.22 87.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 62.33 110.876 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -94.52 148.42 22.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 73.52 110.956 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.3 m -130.64 114.87 15.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 75.34 110.883 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -111.8 126.82 55.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 71.31 110.953 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.8 -113.05 3.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 72.1 112.467 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.7 m -112.84 25.18 11.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 74.25 110.9 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -125.01 152.02 44.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 65.12 110.881 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.6 m -140.03 104.96 4.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 72.55 110.899 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.484 HG13 ' HD2' ' A' ' 31' ' ' ARG . 10.8 p -139.61 151.79 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 72.41 111.131 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 95.3 m -84.78 150.85 24.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 53.41 110.82 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.484 ' HD2' HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -140.18 133.76 30.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 65.24 110.946 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 72.13 110.865 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.464 -0.255 . . . . 75.51 112.464 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -67.79 134.0 50.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 74.3 110.943 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 p -156.57 158.47 37.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 72.33 110.855 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.14 159.6 18.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 44.33 111.09 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -110.58 175.39 5.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 55.21 110.865 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -53.79 122.38 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 73.14 110.858 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.15 -19.83 47.05 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.699 -0.763 . . . . 65.54 112.514 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.0 mm -76.35 102.44 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 72.32 111.135 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -56.28 132.87 51.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 71.31 110.852 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.17 137.11 54.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 62.3 110.895 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -94.26 -50.69 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 71.02 110.827 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -133.69 4.77 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 60.31 110.841 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 tt -102.92 156.96 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 72.33 111.162 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -104.94 153.31 21.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 73.3 110.839 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.5 m -73.79 148.56 42.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 74.22 110.835 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.9 m -58.89 177.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 75.41 110.934 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -56.78 138.83 52.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.846 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.85 -26.03 25.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.677 -0.773 . . . . 74.43 112.484 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mt -115.74 164.53 14.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.913 0.387 . . . . 71.31 110.918 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.7 m -134.03 131.55 39.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 72.2 111.07 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.7 t -78.26 87.1 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 62.33 110.904 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -99.15 147.68 24.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 73.52 110.877 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 99.6 m -132.5 113.96 13.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.838 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -104.32 97.22 7.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 71.31 110.877 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.48 -112.94 3.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 72.1 112.583 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.5 m -112.81 24.62 12.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.356 . . . . 74.25 110.87 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.4 t -124.96 151.3 45.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 65.12 110.877 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.4 m -139.99 105.04 4.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 72.55 110.919 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 p -138.62 151.69 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 72.41 111.071 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.7 m -75.87 127.54 33.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 53.41 110.92 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -140.78 131.59 25.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 65.24 110.871 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 pttm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.97 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.533 -0.227 . . . . 75.51 112.533 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.471 ' O ' HD11 ' A' ' 13' ' ' ILE . 16.1 p90 -166.81 175.45 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.959 0.409 . . . . 74.3 110.896 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 p -147.44 164.91 31.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.01 155.54 19.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 44.33 111.123 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -108.26 179.12 4.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 55.21 110.898 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -57.21 120.92 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 73.14 110.873 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.39 -19.7 48.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.749 . . . . 65.54 112.464 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.4 mm -76.17 101.88 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.883 0.373 . . . . 72.32 111.146 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -55.73 133.1 50.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 71.31 110.864 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.7 137.08 54.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 62.3 110.816 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -94.22 -50.73 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 71.02 110.835 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -133.64 4.75 3.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 60.31 110.853 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.471 HD11 ' O ' ' A' ' 2' ' ' TYR . 17.8 tt -102.92 156.97 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 72.33 111.113 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -103.98 154.88 19.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 73.3 110.817 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.1 m -76.76 147.82 37.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 74.22 110.889 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.2 m -57.29 177.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 75.41 110.91 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.72 139.83 49.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.884 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.02 -22.88 38.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 74.43 112.492 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 32' ' ' LYS . 5.1 mt -122.61 162.93 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 71.31 110.838 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.4 m -135.69 135.81 40.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 72.2 111.122 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -69.75 87.14 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 62.33 110.826 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -83.65 146.17 28.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 73.52 110.894 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.6 m -138.02 115.42 11.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 75.34 110.873 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -118.98 96.69 5.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.869 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.12 -112.98 3.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 72.1 112.489 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 t -112.74 24.44 12.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.871 0.367 . . . . 74.25 110.905 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -125.07 149.08 48.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 65.12 110.895 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.5 m -140.01 104.98 4.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 72.55 110.911 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -136.34 151.76 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 72.41 111.131 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.4 m -75.78 140.6 42.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 53.41 110.916 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -141.89 137.43 31.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 65.24 110.813 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' HA ' HD23 ' A' ' 19' ' ' LEU . 52.0 mtmt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 72.13 110.948 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.499 -0.24 . . . . 75.51 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -164.68 139.37 5.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.948 0.404 . . . . 74.3 110.96 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.2 p -154.01 159.24 41.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 72.33 110.937 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.15 154.45 20.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 44.33 111.091 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -106.12 179.34 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 55.21 110.874 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.09 121.15 9.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 73.14 110.924 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.09 -19.52 48.85 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.756 -0.735 . . . . 65.54 112.492 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.1 mm -76.3 102.35 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 72.32 111.077 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -55.26 136.82 48.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 71.31 110.943 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -124.48 137.15 54.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 62.3 110.862 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -94.31 -50.58 5.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 71.02 110.867 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -133.68 4.51 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 60.31 110.854 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.7 tt -102.57 156.82 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 72.33 111.114 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -104.4 153.75 20.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 73.3 110.846 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.5 m -76.38 147.36 38.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.867 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.0 m -57.55 178.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 75.41 110.925 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -57.31 139.82 51.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.849 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.68 -23.41 35.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.676 -0.773 . . . . 74.43 112.499 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 mt -121.09 156.06 33.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.358 . . . . 71.31 110.934 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.9 m -129.52 135.68 48.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 72.2 111.171 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.5 t -72.35 87.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 62.33 110.875 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -85.83 144.57 27.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.52 110.874 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.9 m -138.06 116.05 11.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.895 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -119.84 96.18 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 71.31 110.944 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.16 -112.99 3.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 72.1 112.428 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.6 p -112.63 24.72 12.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 74.25 110.866 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -125.07 145.54 49.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 65.12 110.801 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.3 m -140.02 105.06 4.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 72.55 110.854 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -138.84 151.57 23.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 72.41 111.089 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.3 m -74.9 139.4 43.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 53.41 110.914 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -141.83 134.2 28.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 65.24 110.845 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 72.13 110.867 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.838 0.351 . . . . 72.329999999999998 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.35 149.08 25.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 44.329999999999998 111.129 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -98.1 178.02 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 55.210000000000001 110.87 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -55.37 121.54 9.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 73.140000000000001 110.874 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.36 -19.9 47.24 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 65.540000000000006 112.482 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.1 mm -77.29 104.36 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.958 0.409 . . . . 72.319999999999993 111.156 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.49 156.88 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 71.310000000000002 110.879 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -145.07 137.05 25.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 62.299999999999997 110.872 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -94.19 -50.68 5.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 71.019999999999996 110.882 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -133.65 4.69 3.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 60.310000000000002 110.92 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.7 tt -102.89 156.93 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 72.329999999999998 111.108 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -104.96 153.03 21.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 73.299999999999997 110.861 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 m -73.11 148.82 43.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 74.219999999999999 110.911 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.3 m -57.97 178.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 75.409999999999997 110.859 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.1 p -54.73 140.88 34.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 74.439999999999998 110.86 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.41 -21.18 42.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.79 -0.719 . . . . 74.430000000000007 112.447 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.3 mt -123.72 157.68 33.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.861 0.362 . . . . 71.310000000000002 110.965 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.9 m -134.24 139.33 45.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 72.200000000000003 111.146 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.3 t -69.23 87.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 62.329999999999998 110.863 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -95.56 146.22 24.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 73.519999999999996 110.924 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.2 m -138.0 114.01 9.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.340000000000003 110.837 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.33 100.24 9.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 71.310000000000002 110.904 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.25 -113.01 3.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 72.099999999999994 112.448 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.9 m -111.58 26.38 10.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.886 0.374 . . . . 74.25 110.882 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -124.91 151.98 44.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 65.120000000000005 110.873 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.5 m -139.77 105.05 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 72.549999999999997 110.874 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.75 149.73 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 72.409999999999997 111.174 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.6 m -76.29 115.94 16.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 53.409999999999997 110.883 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 65.239999999999995 110.875 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.808 0.337 . . . . 72.329999999999998 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.409 ' HB1' ' HB ' ' A' ' 8' ' ' ILE . . . -85.82 152.57 22.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 44.329999999999998 111.04 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -101.26 -177.45 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 55.210000000000001 110.864 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -57.39 119.12 5.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 73.140000000000001 110.868 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.72 -20.13 46.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 65.540000000000006 112.485 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.409 ' HB ' ' HB1' ' A' ' 4' ' ' ALA . 42.0 mm -76.32 104.09 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.377 . . . . 72.319999999999993 111.112 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -54.31 159.63 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 71.310000000000002 110.887 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -147.2 137.02 23.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 62.299999999999997 110.907 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -94.19 -50.66 5.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 71.019999999999996 110.81 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -133.66 4.73 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 60.310000000000002 110.924 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.8 tt -102.86 156.86 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 72.329999999999998 111.158 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -104.03 154.43 19.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 73.299999999999997 110.844 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.2 m -74.32 148.84 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.219999999999999 110.894 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.8 m -54.71 173.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.409999999999997 110.864 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.0 m -53.02 138.57 30.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.439999999999998 110.816 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.02 -27.08 19.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 74.430000000000007 112.539 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mt -118.34 152.53 35.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 71.310000000000002 110.942 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -127.16 140.22 52.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 72.200000000000003 111.16 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.6 t -68.7 87.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 62.329999999999998 110.898 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -96.31 137.24 35.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 73.519999999999996 110.853 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.4 m -137.73 114.21 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 75.340000000000003 110.842 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -107.08 118.02 35.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 71.310000000000002 110.865 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 -113.06 5.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 72.099999999999994 112.527 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -110.89 26.7 10.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.39 . . . . 74.25 110.896 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -124.77 147.1 48.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 65.120000000000005 110.882 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 t -139.93 105.38 5.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 72.549999999999997 110.932 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -140.87 149.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 72.409999999999997 111.096 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 96.1 m -76.13 125.73 29.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 53.409999999999997 110.896 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 65.239999999999995 110.89 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.6 p . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 120.843 0.354 . . . . 72.329999999999998 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.22 155.4 21.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 44.329999999999998 111.128 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -107.86 178.29 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 55.210000000000001 110.921 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -55.38 120.5 7.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 73.140000000000001 110.847 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.36 -20.02 48.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 65.540000000000006 112.531 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.2 mm -76.27 102.87 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 72.319999999999993 111.133 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -56.78 136.1 55.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 71.310000000000002 110.971 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -124.04 137.03 54.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 62.299999999999997 110.849 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -94.2 -50.64 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 71.019999999999996 110.906 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -133.69 4.74 3.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 60.310000000000002 110.93 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.4 tt -102.81 156.97 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 72.329999999999998 111.157 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -103.5 154.0 19.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 73.299999999999997 110.843 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.0 m -76.96 147.61 36.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.869 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.4 m -56.92 174.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 75.409999999999997 110.94 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.42 142.56 21.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 74.439999999999998 110.874 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.0 -29.43 10.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 74.430000000000007 112.457 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mt -115.0 159.99 20.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.875 0.369 . . . . 71.310000000000002 110.959 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.2 m -131.27 132.64 44.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 72.200000000000003 111.107 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.1 t -71.86 87.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 62.329999999999998 110.86 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -95.04 148.62 22.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.909 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.2 m -134.77 114.05 12.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 75.340000000000003 110.883 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -106.16 96.13 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 71.310000000000002 110.947 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.69 -113.02 3.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.803 -0.713 . . . . 72.099999999999994 112.462 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 t -111.65 25.08 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.347 . . . . 74.25 110.822 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -125.02 151.5 45.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 65.120000000000005 110.885 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.5 m -140.0 105.38 5.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 72.549999999999997 110.905 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -138.58 151.7 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.409999999999997 111.119 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 99.7 m -75.32 134.73 40.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 53.409999999999997 110.879 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 65.239999999999995 110.911 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.847 0.356 . . . . 72.329999999999998 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.421 ' HB1' ' HB ' ' A' ' 8' ' ' ILE . . . -86.96 151.91 22.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 44.329999999999998 111.132 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -97.46 -178.86 4.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 55.210000000000001 110.891 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -58.6 122.87 14.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 73.140000000000001 110.842 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.18 -19.85 47.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.671 -0.776 . . . . 65.540000000000006 112.475 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.421 ' HB ' ' HB1' ' A' ' 4' ' ' ALA . 44.8 mm -78.92 103.54 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.943 0.401 . . . . 72.319999999999993 111.134 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -52.77 158.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 71.310000000000002 110.909 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -145.0 137.1 25.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 62.299999999999997 110.9 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -94.28 -50.64 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 71.019999999999996 110.856 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -133.69 4.67 3.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 60.310000000000002 110.842 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.0 tt -102.77 156.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.329999999999998 111.13 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -104.27 152.16 22.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 73.299999999999997 110.845 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 m -71.0 148.0 48.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 74.219999999999999 110.925 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.9 m -57.58 179.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 75.409999999999997 110.913 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -54.79 140.88 34.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 74.439999999999998 110.865 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.01 -20.26 46.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 74.430000000000007 112.494 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 mt -124.94 158.9 32.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 71.310000000000002 110.927 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 m -135.98 137.03 40.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 72.200000000000003 111.1 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.3 t -69.52 87.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 62.329999999999998 110.923 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -101.17 148.49 25.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.898 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 66.9 m -137.99 114.13 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 75.340000000000003 110.912 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -107.27 100.43 9.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 71.310000000000002 110.924 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.87 -113.21 3.61 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 72.099999999999994 112.521 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.5 t -112.72 26.43 10.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 74.25 110.866 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -124.99 148.08 48.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.135 -0.484 . . . . 65.120000000000005 110.896 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.9 m -139.91 105.77 5.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 72.549999999999997 110.89 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.1 149.32 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 72.409999999999997 111.085 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 78.1 m -75.88 129.99 37.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 53.409999999999997 110.867 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 65.239999999999995 110.88 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.903 0.382 . . . . 72.329999999999998 110.855 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.98 160.75 19.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 44.329999999999998 111.1 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -112.05 176.79 4.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 55.210000000000001 110.891 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -55.16 122.63 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 73.140000000000001 110.848 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.14 -19.74 47.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.757 . . . . 65.540000000000006 112.477 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.7 mm -76.47 100.56 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 72.319999999999993 111.137 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -54.91 131.52 44.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 71.310000000000002 110.952 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.48 137.08 54.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 62.299999999999997 110.897 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -94.3 -50.72 5.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 71.019999999999996 110.82 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -133.59 4.64 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 60.310000000000002 110.922 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.7 tt -102.79 156.88 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 72.329999999999998 111.089 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -105.03 153.13 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 73.299999999999997 110.814 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.7 m -74.33 148.43 41.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 74.219999999999999 110.877 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.5 m -58.16 177.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 75.409999999999997 110.924 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 p -54.78 140.33 36.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.439999999999998 110.938 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.29 -22.56 34.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.784 -0.722 . . . . 74.430000000000007 112.448 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.4 mt -119.75 151.11 39.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.0 0.429 . . . . 71.310000000000002 110.839 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.4 m -126.8 134.51 50.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.137 -0.483 . . . . 72.200000000000003 111.086 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.97 87.05 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 62.329999999999998 110.836 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -86.89 146.63 26.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 73.519999999999996 110.88 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.7 m -138.03 114.39 10.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 75.340000000000003 110.895 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -112.09 96.16 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 71.310000000000002 110.885 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.73 -112.96 3.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 72.099999999999994 112.452 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.94 25.06 11.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.339 . . . . 74.25 110.782 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 t -125.06 151.82 45.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 65.120000000000005 110.856 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.4 m -139.96 105.06 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 72.549999999999997 110.871 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -135.42 149.95 28.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.16 -0.473 . . . . 72.409999999999997 111.124 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.4 m -75.93 131.37 39.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 53.409999999999997 110.96 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 65.239999999999995 110.903 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.741 0.305 . . . . 72.329999999999998 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.34 154.53 19.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 44.329999999999998 111.107 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -109.35 177.92 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 55.210000000000001 110.838 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -55.46 121.28 8.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 73.140000000000001 110.85 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.22 -19.51 49.32 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.774 -0.727 . . . . 65.540000000000006 112.551 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.0 mm -76.13 100.9 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.964 0.412 . . . . 72.319999999999993 111.146 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HG3' HG22 ' A' ' 29' ' ' VAL . 31.7 mtpt -54.83 132.24 45.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 71.310000000000002 110.883 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.93 137.03 54.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 62.299999999999997 110.889 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 48.3 m170 -94.21 -50.65 5.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 71.019999999999996 110.878 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -133.68 4.65 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 60.310000000000002 110.897 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.2 tt -102.78 157.02 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 72.329999999999998 111.175 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -104.36 155.17 19.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 73.299999999999997 110.823 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.0 m -77.46 148.1 35.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 74.219999999999999 110.836 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.6 m -56.55 174.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 75.409999999999997 110.792 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 p -53.74 141.94 25.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.439999999999998 110.904 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.0 -24.3 30.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 74.430000000000007 112.475 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.9 mt -118.35 162.11 18.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 71.310000000000002 110.92 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.9 m -133.83 129.82 37.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 72.200000000000003 111.135 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.5 t -70.42 87.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 62.329999999999998 110.868 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -92.45 147.38 22.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 73.519999999999996 110.901 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 88.5 m -137.93 114.21 10.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 75.340000000000003 110.917 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -108.6 96.34 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 71.310000000000002 110.939 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.3 -113.03 3.9 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.768 -0.729 . . . . 72.099999999999994 112.491 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 p -111.99 24.96 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.916 0.389 . . . . 74.25 110.927 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -125.08 149.8 47.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 65.120000000000005 110.819 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.3 m -139.93 105.17 5.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 72.549999999999997 110.897 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.407 HG22 ' HG3' ' A' ' 9' ' ' LYS . 22.0 t -137.68 149.7 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 72.409999999999997 111.115 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 70.9 m -75.32 128.93 36.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 53.409999999999997 110.866 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 65.239999999999995 110.912 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.844 0.354 . . . . 72.329999999999998 110.856 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.79 153.01 21.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 44.329999999999998 111.128 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -108.07 178.94 4.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 55.210000000000001 110.889 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -57.43 120.99 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.140000000000001 110.832 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.36 -19.58 49.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 65.540000000000006 112.575 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.2 mm -76.11 101.55 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.969 0.414 . . . . 72.319999999999993 111.157 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -55.21 133.67 49.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 71.310000000000002 110.843 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.86 137.01 54.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 62.299999999999997 110.893 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -94.17 -50.76 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 71.019999999999996 110.868 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -133.6 4.58 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 60.310000000000002 110.899 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.4 tt -102.74 156.82 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 72.329999999999998 111.085 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -104.59 155.42 18.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 73.299999999999997 110.897 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.9 m -76.31 147.67 38.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 74.219999999999999 110.853 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.2 m -56.35 175.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 75.409999999999997 110.891 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.7 t -52.96 140.3 25.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.875 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.59 -25.88 20.86 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 74.430000000000007 112.512 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.3 mt -114.09 161.13 18.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 71.310000000000002 110.924 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 m -135.14 134.68 40.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 72.200000000000003 111.109 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.9 t -71.8 87.0 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 62.329999999999998 110.872 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -88.91 144.91 25.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.906 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.6 m -137.78 114.83 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 75.340000000000003 110.903 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -112.79 97.88 6.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 71.310000000000002 110.909 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.37 -113.03 3.76 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.808 -0.71 . . . . 72.099999999999994 112.42 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -112.1 25.15 11.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 74.25 110.824 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 t -125.05 149.94 47.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 65.120000000000005 110.865 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 54.9 m -140.06 105.02 4.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 72.549999999999997 110.873 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p -137.62 151.7 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 72.409999999999997 111.182 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.9 m -75.68 128.22 34.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 53.409999999999997 110.871 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 65.239999999999995 110.87 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.851 0.358 . . . . 72.329999999999998 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.94 157.47 20.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 44.329999999999998 111.073 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -110.65 177.72 4.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 55.210000000000001 110.933 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -55.6 121.98 10.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 73.140000000000001 110.932 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.73 -19.89 48.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 65.540000000000006 112.465 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.4 mm -76.26 101.69 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 72.319999999999993 111.194 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -55.86 131.4 46.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 71.310000000000002 110.924 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -120.06 137.07 54.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 62.299999999999997 110.824 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -94.26 -50.66 5.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 71.019999999999996 110.833 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -133.69 4.6 3.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 60.310000000000002 110.81 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.3 tt -102.64 156.81 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 72.329999999999998 111.121 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -104.89 152.63 22.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 73.299999999999997 110.873 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.7 m -74.0 148.34 42.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.219999999999999 110.845 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.7 m -57.33 177.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 75.409999999999997 110.827 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.1 p -56.53 139.13 50.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 74.439999999999998 110.924 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.25 -29.21 12.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 74.430000000000007 112.526 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 mt -110.66 163.61 13.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 71.310000000000002 110.945 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.0 m -134.4 123.38 23.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 72.200000000000003 111.18 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.22 87.01 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 62.329999999999998 110.843 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -95.5 147.91 23.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 73.519999999999996 110.9 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.9 m -135.28 115.37 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 75.340000000000003 110.901 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -110.22 96.38 6.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 71.310000000000002 110.881 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.91 -113.07 3.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 72.099999999999994 112.448 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.2 p -112.77 25.2 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 74.25 110.876 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 t -125.07 148.46 48.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 65.120000000000005 110.823 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.1 m -140.07 105.16 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 72.549999999999997 110.838 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.6 t -138.4 149.4 24.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 72.409999999999997 111.099 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.2 m -75.41 132.94 41.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 53.409999999999997 110.854 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 65.239999999999995 110.865 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.871 0.367 . . . . 72.329999999999998 110.838 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.31 155.38 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 44.329999999999998 111.046 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -108.1 179.5 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 55.210000000000001 110.858 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 120.74 8.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 73.140000000000001 110.925 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.18 -19.83 49.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 65.540000000000006 112.544 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.8 mm -76.21 101.04 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 72.319999999999993 111.125 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -54.5 136.79 44.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 71.310000000000002 110.848 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -125.19 137.03 54.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 62.299999999999997 110.903 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -94.27 -50.62 5.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 71.019999999999996 110.908 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -133.63 4.57 3.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 60.310000000000002 110.931 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.6 tt -102.71 156.91 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 72.329999999999998 111.117 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -104.64 153.86 20.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 73.299999999999997 110.877 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.4 m -74.86 147.32 41.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.219999999999999 110.893 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.6 m -56.13 174.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 75.409999999999997 110.869 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.1 p -53.72 137.78 36.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.439999999999998 110.867 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.66 -25.0 29.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.725 -0.75 . . . . 74.430000000000007 112.439 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -116.99 154.57 30.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.401 . . . . 71.310000000000002 110.898 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.5 m -125.64 137.7 53.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 72.200000000000003 111.162 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 t -77.4 86.95 3.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 62.329999999999998 110.941 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -90.53 148.97 22.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 73.519999999999996 110.863 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.6 m -137.89 114.16 10.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 75.340000000000003 110.901 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -108.9 102.57 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.310000000000002 110.926 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.13 -112.94 3.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 72.099999999999994 112.497 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -111.87 24.81 12.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 74.25 110.797 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -125.05 151.85 45.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 65.120000000000005 110.848 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.1 m -140.07 105.0 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 72.549999999999997 110.834 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -136.25 151.69 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 72.409999999999997 111.148 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 91.9 m -75.19 134.34 41.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 53.409999999999997 110.854 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 65.239999999999995 110.853 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.87 0.367 . . . . 72.329999999999998 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.61 158.87 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 44.329999999999998 111.148 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -110.0 177.39 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 55.210000000000001 110.895 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -55.58 122.18 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 73.140000000000001 110.868 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.51 -20.33 44.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 65.540000000000006 112.49 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.5 mm -76.38 101.59 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.931 0.396 . . . . 72.319999999999993 111.117 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -55.71 133.05 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 71.310000000000002 110.877 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.04 137.14 54.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 62.299999999999997 110.848 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -94.26 -50.66 5.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 71.019999999999996 110.868 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -133.66 4.7 3.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 60.310000000000002 110.902 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 tt -102.87 156.95 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 72.329999999999998 111.125 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -104.63 153.69 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 73.299999999999997 110.84 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.0 m -73.86 147.38 43.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 74.219999999999999 110.823 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -56.88 177.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 75.409999999999997 110.873 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -57.4 136.51 56.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 74.439999999999998 110.837 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.45 -29.32 12.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 74.430000000000007 112.512 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 mt -110.81 165.62 11.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 71.310000000000002 110.897 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.9 m -135.6 127.96 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 72.200000000000003 111.14 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.4 t -74.23 87.05 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 62.329999999999998 110.863 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -92.84 148.08 22.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 73.519999999999996 110.827 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.0 m -136.58 114.71 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 75.340000000000003 110.959 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -111.5 95.41 5.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 71.310000000000002 110.884 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.56 -112.99 3.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 72.099999999999994 112.451 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -112.68 24.83 12.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 74.25 110.823 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 t -125.03 146.57 49.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 65.120000000000005 110.873 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.4 m -139.83 107.41 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 72.549999999999997 110.841 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -141.76 151.56 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 72.409999999999997 111.082 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 98.3 m -75.45 130.98 39.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.122 -0.49 . . . . 53.409999999999997 110.848 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 65.239999999999995 110.833 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.8 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.896 0.379 . . . . 72.329999999999998 110.849 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.53 154.09 21.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 44.329999999999998 111.1 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -108.5 178.79 4.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 55.210000000000001 110.921 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 121.47 9.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 73.140000000000001 110.904 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.97 -19.56 48.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.728 . . . . 65.540000000000006 112.526 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.6 mm -76.03 100.62 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 72.319999999999993 111.16 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -54.92 132.61 47.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 71.310000000000002 110.862 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.82 137.1 54.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 62.299999999999997 110.87 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -94.19 -50.75 5.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 71.019999999999996 110.867 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -133.55 4.45 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 60.310000000000002 110.919 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 tt -102.6 156.92 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 72.329999999999998 111.112 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -103.52 155.09 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.299999999999997 110.838 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 m -78.33 148.25 33.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 74.219999999999999 110.88 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.0 m -56.78 174.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 75.409999999999997 110.875 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.1 p -53.4 142.33 22.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 74.439999999999998 110.875 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.78 -26.08 18.2 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.781 -0.723 . . . . 74.430000000000007 112.462 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -119.2 151.62 38.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.901 0.381 . . . . 71.310000000000002 110.818 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 m -126.2 136.86 53.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 72.200000000000003 111.189 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.5 t -70.03 87.16 0.56 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.459 . . . . 62.329999999999998 110.922 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -86.63 146.88 26.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 73.519999999999996 110.88 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.3 m -137.98 114.38 10.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 75.340000000000003 110.806 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -112.86 95.39 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 71.310000000000002 110.839 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.24 -113.04 3.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 72.099999999999994 112.468 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -111.73 24.89 12.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.913 0.387 . . . . 74.25 110.868 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m -125.03 151.74 45.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 65.120000000000005 110.88 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 m -140.07 105.04 4.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 72.549999999999997 110.828 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -135.38 149.91 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 72.409999999999997 111.173 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.3 m -75.31 120.97 21.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 53.409999999999997 110.894 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 65.239999999999995 110.902 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.824 0.345 . . . . 72.329999999999998 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.71 163.58 17.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 44.329999999999998 111.099 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -114.27 172.44 7.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 55.210000000000001 110.905 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 123.6 13.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.140000000000001 110.929 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.5 -18.21 55.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 65.540000000000006 112.482 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.6 mm -75.99 105.42 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 72.319999999999993 111.123 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.24 131.3 37.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 71.310000000000002 110.845 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -124.75 137.1 54.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 62.299999999999997 110.918 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -94.24 -50.73 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 71.019999999999996 110.811 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -133.48 4.31 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 60.310000000000002 110.881 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 tt -102.52 156.99 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 72.329999999999998 111.08 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -113.1 137.87 50.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 73.299999999999997 110.878 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.1 m -65.53 149.04 50.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 74.219999999999999 110.942 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.7 m -52.05 168.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.409999999999997 110.907 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 p -52.31 143.21 15.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 74.439999999999998 110.808 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.67 -19.6 44.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.729 . . . . 74.430000000000007 112.5 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.4 mt -120.95 171.21 8.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 71.310000000000002 110.894 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.1 m -136.63 124.7 22.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.200000000000003 111.179 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.8 t -78.58 87.18 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 62.329999999999998 110.929 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -100.23 148.97 24.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 73.519999999999996 110.917 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.6 m -129.25 114.28 16.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.340000000000003 110.938 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -106.21 123.57 48.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 71.310000000000002 110.888 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.16 -113.18 5.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 72.099999999999994 112.427 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -112.79 25.4 11.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.369 . . . . 74.25 110.797 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 m -124.99 151.97 44.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 65.120000000000005 110.863 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.6 m -137.36 105.01 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 72.549999999999997 110.955 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.43 151.74 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 72.409999999999997 111.116 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.8 m -84.73 142.93 29.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 53.409999999999997 110.856 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 65.239999999999995 110.821 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.834 0.35 . . . . 72.329999999999998 110.918 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.16 161.8 18.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 44.329999999999998 111.036 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -109.26 177.63 4.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 55.210000000000001 110.807 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -57.95 123.57 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 73.140000000000001 110.934 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.44 -20.45 43.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.736 . . . . 65.540000000000006 112.435 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.9 mm -76.38 103.41 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 72.319999999999993 111.166 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.36 132.42 50.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.438 . . . . 71.310000000000002 110.888 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.42 137.07 54.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 62.299999999999997 110.803 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -94.3 -50.66 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 71.019999999999996 110.791 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -133.68 4.72 3.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 60.310000000000002 110.906 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.7 tt -102.7 156.73 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 72.329999999999998 111.158 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -104.02 154.25 19.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 73.299999999999997 110.872 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.0 m -74.89 148.15 40.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 74.219999999999999 110.867 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.2 m -56.8 173.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 75.409999999999997 110.897 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 p -52.6 139.5 25.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.872 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.26 -29.23 11.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 74.430000000000007 112.519 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mt -116.15 161.69 18.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.826 0.346 . . . . 71.310000000000002 110.964 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.7 m -134.4 137.5 44.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 72.200000000000003 111.107 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -70.02 87.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 62.329999999999998 110.877 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -87.59 146.72 25.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 73.519999999999996 110.935 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.6 m -137.98 114.63 10.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 75.340000000000003 110.855 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -114.22 96.96 6.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 71.310000000000002 110.934 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.55 -113.0 3.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 72.099999999999994 112.46 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.4 t -112.95 24.98 11.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.859 0.362 . . . . 74.25 110.79 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -125.1 151.81 45.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 65.120000000000005 110.815 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 m -140.0 105.06 4.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.511 . . . . 72.549999999999997 110.874 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.45 149.63 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 72.409999999999997 111.138 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.29 122.52 23.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 53.409999999999997 110.897 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 65.239999999999995 110.86 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.856 0.36 . . . . 72.329999999999998 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.26 155.57 19.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 44.329999999999998 111.122 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -106.98 179.86 4.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 55.210000000000001 110.895 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -58.62 121.93 12.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 73.140000000000001 110.812 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.26 -19.88 47.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.741 . . . . 65.540000000000006 112.502 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.4 mm -76.14 102.14 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.918 0.39 . . . . 72.319999999999993 111.164 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -55.49 133.26 49.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 71.310000000000002 110.946 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.81 137.07 54.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 62.299999999999997 110.873 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -94.29 -50.62 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 71.019999999999996 110.839 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -133.68 4.56 3.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 60.310000000000002 110.881 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.2 tt -102.72 156.91 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 72.329999999999998 111.141 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -104.71 152.18 22.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 73.299999999999997 110.863 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 m -73.03 147.99 44.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.838 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.7 m -57.58 178.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 75.409999999999997 110.914 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.8 p -57.42 138.86 54.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 74.439999999999998 110.86 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.12 -25.55 26.5 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.713 -0.756 . . . . 74.430000000000007 112.469 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.3 mt -117.27 156.85 27.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.925 0.393 . . . . 71.310000000000002 110.902 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.7 m -128.32 138.09 52.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 72.200000000000003 111.087 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.9 t -78.77 87.03 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 62.329999999999998 110.861 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -93.79 146.67 23.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 73.519999999999996 110.885 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.6 m -137.94 114.11 10.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 75.340000000000003 110.891 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -108.87 102.19 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 71.310000000000002 110.908 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.56 -113.04 3.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 72.099999999999994 112.484 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -112.68 24.76 12.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 74.25 110.881 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 m -124.92 148.28 48.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 65.120000000000005 110.879 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.87 104.98 5.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 72.549999999999997 110.93 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -137.38 151.86 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 72.409999999999997 111.162 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.0 m -75.7 128.13 34.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 53.409999999999997 110.909 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 65.239999999999995 110.939 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.833 0.349 . . . . 72.329999999999998 110.916 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.94 155.17 19.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 44.329999999999998 111.12 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -110.5 177.85 4.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 55.210000000000001 110.924 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.87 122.1 10.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.140000000000001 110.919 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.21 -19.96 46.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 65.540000000000006 112.438 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.1 mm -76.08 103.33 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 72.319999999999993 111.174 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -57.35 132.01 51.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 71.310000000000002 110.881 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.99 137.1 54.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 62.299999999999997 110.885 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -94.22 -50.66 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 71.019999999999996 110.887 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -133.65 4.54 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 60.310000000000002 110.918 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.6 tt -102.62 156.94 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 72.329999999999998 111.163 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -103.24 153.87 19.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.299999999999997 110.876 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.7 m -78.09 147.68 34.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 74.219999999999999 110.846 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.3 m -56.27 175.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 75.409999999999997 110.839 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 p -55.95 145.1 26.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 74.439999999999998 110.88 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.44 -23.75 30.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 74.430000000000007 112.504 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.3 mt -118.22 163.87 16.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.93 0.395 . . . . 71.310000000000002 110.882 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -133.49 123.76 25.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 72.200000000000003 111.142 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.4 t -71.15 86.98 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 62.329999999999998 110.87 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -102.17 148.62 25.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 73.519999999999996 110.911 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.9 m -130.92 114.0 14.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 75.340000000000003 110.873 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -101.52 96.27 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 71.310000000000002 110.835 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.15 -113.08 3.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 72.099999999999994 112.43 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -111.58 24.51 12.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 74.25 110.848 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t -125.1 151.78 45.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 65.120000000000005 110.818 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.7 m -140.03 105.5 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 72.549999999999997 110.883 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 p -140.79 151.25 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 72.409999999999997 111.125 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.5 m -75.6 135.15 40.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 53.409999999999997 110.89 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.0 mmm-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 65.239999999999995 110.98 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.792 0.329 . . . . 72.329999999999998 110.921 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.64 159.26 19.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 44.329999999999998 111.075 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -109.64 177.47 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 55.210000000000001 110.876 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -55.61 123.0 12.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.509 . . . . 73.140000000000001 110.97 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.54 -19.78 48.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 65.540000000000006 112.486 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mm -76.04 103.96 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 72.319999999999993 111.1 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -57.44 131.82 51.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 71.310000000000002 110.829 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.32 137.0 54.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 62.299999999999997 110.864 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -94.25 -50.6 5.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 71.019999999999996 110.846 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -133.61 4.57 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 60.310000000000002 110.863 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.0 tt -102.73 156.68 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 72.329999999999998 111.088 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -102.78 155.87 18.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 73.299999999999997 110.862 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 m -79.05 148.76 32.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 74.219999999999999 110.894 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.9 m -54.87 172.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 75.409999999999997 110.914 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.9 p -52.57 142.22 18.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.439999999999998 110.887 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.99 -27.29 15.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 74.430000000000007 112.501 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 mt -117.5 154.05 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 71.310000000000002 110.974 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -128.33 136.07 50.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.269 -0.423 . . . . 72.200000000000003 111.172 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.0 t -68.68 87.09 0.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 62.329999999999998 110.875 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -91.39 147.61 22.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 73.519999999999996 110.866 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.1 m -137.89 115.84 11.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 75.340000000000003 110.891 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -112.24 98.64 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 71.310000000000002 110.887 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.73 -113.0 3.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 72.099999999999994 112.507 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 p -111.8 24.88 12.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.923 0.392 . . . . 74.25 110.864 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -125.02 152.03 44.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 65.120000000000005 110.891 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.6 m -139.59 105.03 5.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 72.549999999999997 110.878 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.4 149.75 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 72.409999999999997 111.11 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.1 m -77.31 111.15 12.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 53.409999999999997 110.861 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 65.239999999999995 110.872 -179.945 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.862 0.363 . . . . 72.329999999999998 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.63 160.8 18.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 44.329999999999998 111.073 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -112.96 169.92 8.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 55.210000000000001 110.903 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -53.23 121.92 8.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 73.140000000000001 110.935 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.37 -18.65 56.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 65.540000000000006 112.497 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.0 mm -76.04 106.27 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.383 . . . . 72.319999999999993 111.112 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -53.67 129.21 32.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 71.310000000000002 110.914 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -120.82 137.03 54.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 62.299999999999997 110.883 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -94.24 -50.68 5.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 71.019999999999996 110.887 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -133.62 4.76 3.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 60.310000000000002 110.911 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.3 tt -102.99 156.83 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 72.329999999999998 111.102 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -116.23 126.66 53.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 73.299999999999997 110.871 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.7 m -53.17 148.59 8.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.282 -0.417 . . . . 74.219999999999999 110.836 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m -53.26 171.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 75.409999999999997 110.865 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.0 t -52.2 142.68 16.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.439999999999998 110.849 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.73 -20.03 37.45 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 74.430000000000007 112.493 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mt -125.21 163.88 21.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.923 0.392 . . . . 71.310000000000002 110.882 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 m -129.93 119.13 22.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 72.200000000000003 111.162 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.8 t -70.22 87.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 62.329999999999998 110.876 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -94.52 148.42 22.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 73.519999999999996 110.956 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.3 m -130.64 114.87 15.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 75.340000000000003 110.883 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -111.8 126.82 55.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 71.310000000000002 110.953 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.8 -113.05 3.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 72.099999999999994 112.467 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.7 m -112.84 25.18 11.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 74.25 110.9 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -125.01 152.02 44.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 65.120000000000005 110.881 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.6 m -140.03 104.96 4.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 72.549999999999997 110.899 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.484 HG13 ' HD2' ' A' ' 31' ' ' ARG . 10.8 p -139.61 151.79 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 72.409999999999997 111.131 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 95.3 m -84.78 150.85 24.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 53.409999999999997 110.82 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.484 ' HD2' HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 65.239999999999995 110.946 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.895 0.379 . . . . 72.329999999999998 110.855 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.14 159.6 18.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 44.329999999999998 111.09 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -110.58 175.39 5.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 55.210000000000001 110.865 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -53.79 122.38 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 73.140000000000001 110.858 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.15 -19.83 47.05 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.699 -0.763 . . . . 65.540000000000006 112.514 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.0 mm -76.35 102.44 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 72.319999999999993 111.135 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -56.28 132.87 51.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 71.310000000000002 110.852 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.17 137.11 54.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 62.299999999999997 110.895 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -94.26 -50.69 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 71.019999999999996 110.827 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -133.69 4.77 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 60.310000000000002 110.841 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 tt -102.92 156.96 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 72.329999999999998 111.162 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -104.94 153.31 21.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 73.299999999999997 110.839 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.5 m -73.79 148.56 42.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 74.219999999999999 110.835 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.9 m -58.89 177.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 75.409999999999997 110.934 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -56.78 138.83 52.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 110.846 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.85 -26.03 25.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.677 -0.773 . . . . 74.430000000000007 112.484 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mt -115.74 164.53 14.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.913 0.387 . . . . 71.310000000000002 110.918 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.7 m -134.03 131.55 39.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 72.200000000000003 111.07 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.7 t -78.26 87.1 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 62.329999999999998 110.904 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -99.15 147.68 24.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 73.519999999999996 110.877 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 99.6 m -132.5 113.96 13.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 75.340000000000003 110.838 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -104.32 97.22 7.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 71.310000000000002 110.877 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.48 -112.94 3.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 72.099999999999994 112.583 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.5 m -112.81 24.62 12.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.356 . . . . 74.25 110.87 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.4 t -124.96 151.3 45.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 65.120000000000005 110.877 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.4 m -139.99 105.04 4.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 72.549999999999997 110.919 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 p -138.62 151.69 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 72.409999999999997 111.071 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.7 m -75.87 127.54 33.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 53.409999999999997 110.92 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 65.239999999999995 110.871 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.789 0.328 . . . . 72.329999999999998 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.01 155.54 19.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 44.329999999999998 111.123 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -108.26 179.12 4.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 55.210000000000001 110.898 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -57.21 120.92 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 73.140000000000001 110.873 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.39 -19.7 48.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.749 . . . . 65.540000000000006 112.464 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.4 mm -76.17 101.88 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.883 0.373 . . . . 72.319999999999993 111.146 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -55.73 133.1 50.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 71.310000000000002 110.864 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.7 137.08 54.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 62.299999999999997 110.816 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -94.22 -50.73 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 71.019999999999996 110.835 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -133.64 4.75 3.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 60.310000000000002 110.853 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.8 tt -102.92 156.97 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 72.329999999999998 111.113 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -103.98 154.88 19.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 73.299999999999997 110.817 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.1 m -76.76 147.82 37.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 74.219999999999999 110.889 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.2 m -57.29 177.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 75.409999999999997 110.91 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.72 139.83 49.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.439999999999998 110.884 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.02 -22.88 38.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 74.430000000000007 112.492 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mt -122.61 162.93 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 71.310000000000002 110.838 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.4 m -135.69 135.81 40.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 72.200000000000003 111.122 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -69.75 87.14 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 62.329999999999998 110.826 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -83.65 146.17 28.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 110.894 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.6 m -138.02 115.42 11.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 75.340000000000003 110.873 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -118.98 96.69 5.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 71.310000000000002 110.869 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.12 -112.98 3.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 72.099999999999994 112.489 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 t -112.74 24.44 12.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.871 0.367 . . . . 74.25 110.905 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -125.07 149.08 48.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 65.120000000000005 110.895 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.5 m -140.01 104.98 4.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 72.549999999999997 110.911 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -136.34 151.76 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 72.409999999999997 111.131 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.4 m -75.78 140.6 42.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 53.409999999999997 110.916 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 65.239999999999995 110.813 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.811 0.339 . . . . 72.329999999999998 110.937 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.15 154.45 20.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 44.329999999999998 111.091 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -106.12 179.34 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 55.210000000000001 110.874 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.09 121.15 9.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 73.140000000000001 110.924 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.09 -19.52 48.85 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.756 -0.735 . . . . 65.540000000000006 112.492 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.1 mm -76.3 102.35 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 72.319999999999993 111.077 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -55.26 136.82 48.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 71.310000000000002 110.943 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -124.48 137.15 54.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 62.299999999999997 110.862 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -94.31 -50.58 5.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 71.019999999999996 110.867 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -133.68 4.51 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 60.310000000000002 110.854 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.7 tt -102.57 156.82 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 72.329999999999998 111.114 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -104.4 153.75 20.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 73.299999999999997 110.846 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.5 m -76.38 147.36 38.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 74.219999999999999 110.867 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.0 m -57.55 178.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 75.409999999999997 110.925 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -57.31 139.82 51.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.849 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.68 -23.41 35.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.676 -0.773 . . . . 74.430000000000007 112.499 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 mt -121.09 156.06 33.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.358 . . . . 71.310000000000002 110.934 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.9 m -129.52 135.68 48.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 72.200000000000003 111.171 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.5 t -72.35 87.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 62.329999999999998 110.875 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -85.83 144.57 27.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.519999999999996 110.874 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.9 m -138.06 116.05 11.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 110.895 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -119.84 96.18 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 71.310000000000002 110.944 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.16 -112.99 3.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 72.099999999999994 112.428 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.6 p -112.63 24.72 12.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 74.25 110.866 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -125.07 145.54 49.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 65.120000000000005 110.801 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.3 m -140.02 105.06 4.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 72.549999999999997 110.854 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -138.84 151.57 23.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 72.409999999999997 111.089 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.3 m -74.9 139.4 43.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 53.409999999999997 110.914 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 65.239999999999995 110.845 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.528 -0.229 . . . . 75.510000000000005 112.528 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.668 ' O ' HD11 ' A' ' 13' ' ' ILE . 25.4 p90 -133.84 -176.04 4.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.908 0.385 . . . . 74.299999999999997 110.929 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 p -145.07 156.9 44.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 72.329999999999998 110.928 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.35 149.08 25.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 44.329999999999998 111.129 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -98.1 178.02 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 55.210000000000001 110.87 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -55.37 121.54 9.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 73.140000000000001 110.874 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.36 -19.9 47.24 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 65.540000000000006 112.482 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.1 mm -77.29 104.36 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.958 0.409 . . . . 72.319999999999993 111.156 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.49 156.88 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 71.310000000000002 110.879 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -145.07 137.05 25.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 62.299999999999997 110.872 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -94.19 -50.68 5.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 71.019999999999996 110.882 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -133.65 4.69 3.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 60.310000000000002 110.92 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.668 HD11 ' O ' ' A' ' 2' ' ' TYR . 14.7 tt -102.89 156.93 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 72.329999999999998 111.108 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -104.96 153.03 21.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 73.299999999999997 110.861 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 m -73.11 148.82 43.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 74.219999999999999 110.911 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.3 m -57.97 178.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 75.409999999999997 110.859 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.1 p -54.73 140.88 34.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 74.439999999999998 110.86 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.41 -21.18 42.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.79 -0.719 . . . . 74.430000000000007 112.447 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.3 mt -123.72 157.68 33.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.861 0.362 . . . . 71.310000000000002 110.965 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.9 m -134.24 139.33 45.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 72.200000000000003 111.146 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.3 t -69.23 87.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 62.329999999999998 110.863 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -95.56 146.22 24.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 73.519999999999996 110.924 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.2 m -138.0 114.01 9.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.340000000000003 110.837 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.33 100.24 9.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 71.310000000000002 110.904 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.25 -113.01 3.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.792 -0.718 . . . . 72.099999999999994 112.448 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.9 m -111.58 26.38 10.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.886 0.374 . . . . 74.25 110.882 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 m -124.91 151.98 44.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 65.120000000000005 110.873 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.5 m -139.77 105.05 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 72.549999999999997 110.874 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.75 149.73 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 72.409999999999997 111.174 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.6 m -76.29 115.94 16.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 53.409999999999997 110.883 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -122.69 148.27 45.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 65.239999999999995 110.875 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 72.129999999999995 110.901 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.536 -0.225 . . . . 75.510000000000005 112.536 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -134.9 161.08 36.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.395 . . . . 74.299999999999997 110.931 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.7 p -165.92 152.06 9.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 72.329999999999998 110.89 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.409 ' HB1' ' HB ' ' A' ' 8' ' ' ILE . . . -85.82 152.57 22.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 44.329999999999998 111.04 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -101.26 -177.45 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 55.210000000000001 110.864 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -57.39 119.12 5.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 73.140000000000001 110.868 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.72 -20.13 46.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 65.540000000000006 112.485 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.409 ' HB ' ' HB1' ' A' ' 4' ' ' ALA . 42.0 mm -76.32 104.09 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.377 . . . . 72.319999999999993 111.112 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -54.31 159.63 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 71.310000000000002 110.887 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -147.2 137.02 23.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 62.299999999999997 110.907 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -94.19 -50.66 5.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 71.019999999999996 110.81 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -133.66 4.73 3.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 60.310000000000002 110.924 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.8 tt -102.86 156.86 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 72.329999999999998 111.158 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -104.03 154.43 19.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 73.299999999999997 110.844 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.2 m -74.32 148.84 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.219999999999999 110.894 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.8 m -54.71 173.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.409999999999997 110.864 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.0 m -53.02 138.57 30.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.439999999999998 110.816 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.02 -27.08 19.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 74.430000000000007 112.539 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mt -118.34 152.53 35.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 71.310000000000002 110.942 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -127.16 140.22 52.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 72.200000000000003 111.16 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.6 t -68.7 87.06 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 62.329999999999998 110.898 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -96.31 137.24 35.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 73.519999999999996 110.853 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.4 m -137.73 114.21 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 75.340000000000003 110.842 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -107.08 118.02 35.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 71.310000000000002 110.865 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 -113.06 5.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 72.099999999999994 112.527 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -110.89 26.7 10.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.39 . . . . 74.25 110.896 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -124.77 147.1 48.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 65.120000000000005 110.882 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 t -139.93 105.38 5.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 72.549999999999997 110.932 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -140.87 149.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 72.409999999999997 111.096 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 96.1 m -76.13 125.73 29.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 53.409999999999997 110.896 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 -140.19 153.21 46.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 65.239999999999995 110.89 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 72.129999999999995 110.868 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.476 -0.249 . . . . 75.510000000000005 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -103.14 134.01 47.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.915 0.388 . . . . 74.299999999999997 110.885 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.6 p -158.64 155.01 27.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 72.329999999999998 110.86 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.22 155.4 21.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 44.329999999999998 111.128 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -107.86 178.29 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.296 -0.411 . . . . 55.210000000000001 110.921 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -55.38 120.5 7.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 73.140000000000001 110.847 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.36 -20.02 48.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 65.540000000000006 112.531 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.2 mm -76.27 102.87 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 72.319999999999993 111.133 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -56.78 136.1 55.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 71.310000000000002 110.971 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -124.04 137.03 54.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 62.299999999999997 110.849 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -94.2 -50.64 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 71.019999999999996 110.906 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -133.69 4.74 3.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 60.310000000000002 110.93 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.4 tt -102.81 156.97 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 72.329999999999998 111.157 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -103.5 154.0 19.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 73.299999999999997 110.843 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.0 m -76.96 147.61 36.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.869 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.4 m -56.92 174.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 75.409999999999997 110.94 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.42 142.56 21.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 74.439999999999998 110.874 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.0 -29.43 10.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 74.430000000000007 112.457 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mt -115.0 159.99 20.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.875 0.369 . . . . 71.310000000000002 110.959 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.2 m -131.27 132.64 44.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 72.200000000000003 111.107 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.1 t -71.86 87.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 62.329999999999998 110.86 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -95.04 148.62 22.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.909 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.2 m -134.77 114.05 12.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 75.340000000000003 110.883 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -106.16 96.13 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 71.310000000000002 110.947 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.69 -113.02 3.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.803 -0.713 . . . . 72.099999999999994 112.462 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 t -111.65 25.08 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.347 . . . . 74.25 110.822 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -125.02 151.5 45.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 65.120000000000005 110.885 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.5 m -140.0 105.38 5.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 72.549999999999997 110.905 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -138.58 151.7 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.409999999999997 111.119 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 99.7 m -75.32 134.73 40.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 53.409999999999997 110.879 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -141.93 138.4 31.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 65.239999999999995 110.911 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 72.129999999999995 110.912 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.505 -0.238 . . . . 75.510000000000005 112.505 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -82.02 151.22 27.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.915 0.388 . . . . 74.299999999999997 110.91 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.8 p -168.94 153.32 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 72.329999999999998 110.897 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.421 ' HB1' ' HB ' ' A' ' 8' ' ' ILE . . . -86.96 151.91 22.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 44.329999999999998 111.132 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -97.46 -178.86 4.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 55.210000000000001 110.891 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -58.6 122.87 14.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 73.140000000000001 110.842 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.18 -19.85 47.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.671 -0.776 . . . . 65.540000000000006 112.475 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.421 ' HB ' ' HB1' ' A' ' 4' ' ' ALA . 44.8 mm -78.92 103.54 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.943 0.401 . . . . 72.319999999999993 111.134 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -52.77 158.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 71.310000000000002 110.909 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -145.0 137.1 25.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 62.299999999999997 110.9 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -94.28 -50.64 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 71.019999999999996 110.856 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -133.69 4.67 3.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 60.310000000000002 110.842 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.0 tt -102.77 156.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.329999999999998 111.13 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -104.27 152.16 22.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 73.299999999999997 110.845 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 m -71.0 148.0 48.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 74.219999999999999 110.925 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.9 m -57.58 179.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 75.409999999999997 110.913 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -54.79 140.88 34.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 74.439999999999998 110.865 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.01 -20.26 46.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 74.430000000000007 112.494 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 mt -124.94 158.9 32.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 71.310000000000002 110.927 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 m -135.98 137.03 40.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 72.200000000000003 111.1 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.3 t -69.52 87.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 62.329999999999998 110.923 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -101.17 148.49 25.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.898 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 66.9 m -137.99 114.13 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 75.340000000000003 110.912 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -107.27 100.43 9.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 71.310000000000002 110.924 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.87 -113.21 3.61 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 72.099999999999994 112.521 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.5 t -112.72 26.43 10.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 74.25 110.866 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -124.99 148.08 48.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.135 -0.484 . . . . 65.120000000000005 110.896 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.9 m -139.91 105.77 5.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 72.549999999999997 110.89 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.1 149.32 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 72.409999999999997 111.085 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 78.1 m -75.88 129.99 37.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 53.409999999999997 110.867 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -137.6 155.76 48.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 65.239999999999995 110.88 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 72.129999999999995 110.908 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.451 -0.26 . . . . 75.510000000000005 112.451 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -132.35 146.25 51.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 74.299999999999997 110.967 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 p -166.31 155.47 11.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 72.329999999999998 110.855 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.98 160.75 19.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 44.329999999999998 111.1 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -112.05 176.79 4.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 55.210000000000001 110.891 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -55.16 122.63 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 73.140000000000001 110.848 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.14 -19.74 47.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.757 . . . . 65.540000000000006 112.477 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.7 mm -76.47 100.56 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 72.319999999999993 111.137 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -54.91 131.52 44.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 71.310000000000002 110.952 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.48 137.08 54.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 62.299999999999997 110.897 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -94.3 -50.72 5.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 71.019999999999996 110.82 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -133.59 4.64 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 60.310000000000002 110.922 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.7 tt -102.79 156.88 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 72.329999999999998 111.089 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -105.03 153.13 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 73.299999999999997 110.814 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.7 m -74.33 148.43 41.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 74.219999999999999 110.877 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.5 m -58.16 177.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 75.409999999999997 110.924 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 p -54.78 140.33 36.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.439999999999998 110.938 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.29 -22.56 34.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.784 -0.722 . . . . 74.430000000000007 112.448 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.4 mt -119.75 151.11 39.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.0 0.429 . . . . 71.310000000000002 110.839 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.4 m -126.8 134.51 50.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.137 -0.483 . . . . 72.200000000000003 111.086 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.97 87.05 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 62.329999999999998 110.836 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -86.89 146.63 26.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 73.519999999999996 110.88 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.7 m -138.03 114.39 10.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 75.340000000000003 110.895 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -112.09 96.16 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 71.310000000000002 110.885 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.73 -112.96 3.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 72.099999999999994 112.452 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.94 25.06 11.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.339 . . . . 74.25 110.782 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 t -125.06 151.82 45.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 65.120000000000005 110.856 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.4 m -139.96 105.06 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 72.549999999999997 110.871 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -135.42 149.95 28.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.16 -0.473 . . . . 72.409999999999997 111.124 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.4 m -75.93 131.37 39.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 53.409999999999997 110.96 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -141.53 142.0 33.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 65.239999999999995 110.903 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 72.129999999999995 110.892 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.537 -0.225 . . . . 75.510000000000005 112.537 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.414 ' CE2' HD12 ' A' ' 13' ' ' ILE . 27.0 p90 -133.45 158.11 43.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.957 0.408 . . . . 74.299999999999997 110.935 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.3 p -147.87 169.3 20.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 72.329999999999998 110.951 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.34 154.53 19.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 44.329999999999998 111.107 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -109.35 177.92 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 55.210000000000001 110.838 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -55.46 121.28 8.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 73.140000000000001 110.85 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.22 -19.51 49.32 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.774 -0.727 . . . . 65.540000000000006 112.551 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.0 mm -76.13 100.9 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.964 0.412 . . . . 72.319999999999993 111.146 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HG3' HG22 ' A' ' 29' ' ' VAL . 31.7 mtpt -54.83 132.24 45.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 71.310000000000002 110.883 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.93 137.03 54.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 62.299999999999997 110.889 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 48.3 m170 -94.21 -50.65 5.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 71.019999999999996 110.878 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -133.68 4.65 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 60.310000000000002 110.897 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.414 HD12 ' CE2' ' A' ' 2' ' ' TYR . 14.2 tt -102.78 157.02 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 72.329999999999998 111.175 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -104.36 155.17 19.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 73.299999999999997 110.823 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.0 m -77.46 148.1 35.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 74.219999999999999 110.836 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.6 m -56.55 174.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 75.409999999999997 110.792 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 p -53.74 141.94 25.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.439999999999998 110.904 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.0 -24.3 30.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 74.430000000000007 112.475 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.9 mt -118.35 162.11 18.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 71.310000000000002 110.92 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.9 m -133.83 129.82 37.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 72.200000000000003 111.135 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.5 t -70.42 87.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 62.329999999999998 110.868 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -92.45 147.38 22.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 73.519999999999996 110.901 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 88.5 m -137.93 114.21 10.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 75.340000000000003 110.917 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -108.6 96.34 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 71.310000000000002 110.939 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.3 -113.03 3.9 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.768 -0.729 . . . . 72.099999999999994 112.491 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.3 p -111.99 24.96 12.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.916 0.389 . . . . 74.25 110.927 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -125.08 149.8 47.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 65.120000000000005 110.819 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.3 m -139.93 105.17 5.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 72.549999999999997 110.897 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.407 HG22 ' HG3' ' A' ' 9' ' ' LYS . 22.0 t -137.68 149.7 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 72.409999999999997 111.115 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 70.9 m -75.32 128.93 36.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 53.409999999999997 110.866 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -141.03 132.11 26.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 65.239999999999995 110.912 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 72.129999999999995 110.922 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.495 -0.242 . . . . 75.510000000000005 112.495 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.702 ' O ' HD11 ' A' ' 13' ' ' ILE . 36.5 p90 -143.39 -179.47 6.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.926 0.393 . . . . 74.299999999999997 110.941 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 p -140.89 161.17 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 72.329999999999998 110.856 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.79 153.01 21.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 44.329999999999998 111.128 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -108.07 178.94 4.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 55.210000000000001 110.889 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -57.43 120.99 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.140000000000001 110.832 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.36 -19.58 49.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 65.540000000000006 112.575 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.2 mm -76.11 101.55 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.969 0.414 . . . . 72.319999999999993 111.157 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -55.21 133.67 49.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 71.310000000000002 110.843 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.86 137.01 54.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 62.299999999999997 110.893 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -94.17 -50.76 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 71.019999999999996 110.868 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -133.6 4.58 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 60.310000000000002 110.899 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.702 HD11 ' O ' ' A' ' 2' ' ' TYR . 10.4 tt -102.74 156.82 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 72.329999999999998 111.085 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -104.59 155.42 18.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 73.299999999999997 110.897 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.9 m -76.31 147.67 38.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 74.219999999999999 110.853 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.2 m -56.35 175.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 75.409999999999997 110.891 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.7 t -52.96 140.3 25.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.875 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.59 -25.88 20.86 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 74.430000000000007 112.512 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.3 mt -114.09 161.13 18.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 71.310000000000002 110.924 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 m -135.14 134.68 40.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 72.200000000000003 111.109 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.9 t -71.8 87.0 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 62.329999999999998 110.872 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -88.91 144.91 25.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.906 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 36.6 m -137.78 114.83 10.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 75.340000000000003 110.903 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -112.79 97.88 6.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 71.310000000000002 110.909 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.37 -113.03 3.76 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.808 -0.71 . . . . 72.099999999999994 112.42 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -112.1 25.15 11.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 74.25 110.824 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 t -125.05 149.94 47.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 65.120000000000005 110.865 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 54.9 m -140.06 105.02 4.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 72.549999999999997 110.873 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p -137.62 151.7 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 72.409999999999997 111.182 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.9 m -75.68 128.22 34.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 53.409999999999997 110.871 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -141.81 131.53 24.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 65.239999999999995 110.87 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 72.129999999999995 110.918 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.527 -0.229 . . . . 75.510000000000005 112.527 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.687 ' O ' HD11 ' A' ' 13' ' ' ILE . 15.0 p90 -111.71 178.13 4.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.922 0.392 . . . . 74.299999999999997 110.913 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 p -140.9 156.48 46.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 72.329999999999998 110.86 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.94 157.47 20.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 44.329999999999998 111.073 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -110.65 177.72 4.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 55.210000000000001 110.933 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -55.6 121.98 10.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 73.140000000000001 110.932 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.73 -19.89 48.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 65.540000000000006 112.465 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.4 mm -76.26 101.69 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 72.319999999999993 111.194 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -55.86 131.4 46.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 71.310000000000002 110.924 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -120.06 137.07 54.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 62.299999999999997 110.824 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -94.26 -50.66 5.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 71.019999999999996 110.833 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -133.69 4.6 3.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 60.310000000000002 110.81 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.687 HD11 ' O ' ' A' ' 2' ' ' TYR . 13.3 tt -102.64 156.81 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 72.329999999999998 111.121 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -104.89 152.63 22.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 73.299999999999997 110.873 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.7 m -74.0 148.34 42.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.219999999999999 110.845 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.7 m -57.33 177.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 75.409999999999997 110.827 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.1 p -56.53 139.13 50.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 74.439999999999998 110.924 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.25 -29.21 12.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 74.430000000000007 112.526 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 mt -110.66 163.61 13.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 71.310000000000002 110.945 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.0 m -134.4 123.38 23.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 72.200000000000003 111.18 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.22 87.01 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 62.329999999999998 110.843 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -95.5 147.91 23.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 73.519999999999996 110.9 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.9 m -135.28 115.37 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 75.340000000000003 110.901 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -110.22 96.38 6.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 71.310000000000002 110.881 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.91 -113.07 3.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 72.099999999999994 112.448 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.2 p -112.77 25.2 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 74.25 110.876 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 t -125.07 148.46 48.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 65.120000000000005 110.823 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.1 m -140.07 105.16 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 72.549999999999997 110.838 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.6 t -138.4 149.4 24.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 72.409999999999997 111.099 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.2 m -75.41 132.94 41.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 53.409999999999997 110.854 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -141.68 141.01 33.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 65.239999999999995 110.865 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 72.129999999999995 110.906 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.459 -0.256 . . . . 75.510000000000005 112.459 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -145.95 128.64 16.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.899 0.38 . . . . 74.299999999999997 110.938 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 p -151.49 158.5 43.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 72.329999999999998 110.838 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.31 155.38 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 44.329999999999998 111.046 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -108.1 179.5 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 55.210000000000001 110.858 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 120.74 8.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 73.140000000000001 110.925 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.18 -19.83 49.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 65.540000000000006 112.544 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.8 mm -76.21 101.04 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 72.319999999999993 111.125 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -54.5 136.79 44.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 71.310000000000002 110.848 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -125.19 137.03 54.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 62.299999999999997 110.903 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -94.27 -50.62 5.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 71.019999999999996 110.908 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -133.63 4.57 3.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 60.310000000000002 110.931 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.6 tt -102.71 156.91 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 72.329999999999998 111.117 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -104.64 153.86 20.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 73.299999999999997 110.877 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.4 m -74.86 147.32 41.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 74.219999999999999 110.893 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.6 m -56.13 174.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 75.409999999999997 110.869 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.1 p -53.72 137.78 36.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.439999999999998 110.867 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.66 -25.0 29.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.725 -0.75 . . . . 74.430000000000007 112.439 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -116.99 154.57 30.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.401 . . . . 71.310000000000002 110.898 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.5 m -125.64 137.7 53.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 72.200000000000003 111.162 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 t -77.4 86.95 3.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 62.329999999999998 110.941 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -90.53 148.97 22.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 73.519999999999996 110.863 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.6 m -137.89 114.16 10.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 75.340000000000003 110.901 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -108.9 102.57 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.310000000000002 110.926 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.13 -112.94 3.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 72.099999999999994 112.497 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -111.87 24.81 12.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 74.25 110.797 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -125.05 151.85 45.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 65.120000000000005 110.848 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.1 m -140.07 105.0 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 72.549999999999997 110.834 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -136.25 151.69 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 72.409999999999997 111.148 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 91.9 m -75.19 134.34 41.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 53.409999999999997 110.854 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -141.7 132.98 26.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 65.239999999999995 110.853 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 72.129999999999995 110.879 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 N-CA-C 112.463 -0.255 . . . . 75.510000000000005 112.463 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -91.3 154.57 19.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.923 0.392 . . . . 74.299999999999997 110.926 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.3 p -168.01 156.27 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 72.329999999999998 110.881 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.61 158.87 18.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 44.329999999999998 111.148 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -110.0 177.39 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 55.210000000000001 110.895 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -55.58 122.18 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 73.140000000000001 110.868 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.51 -20.33 44.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 65.540000000000006 112.49 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.5 mm -76.38 101.59 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.931 0.396 . . . . 72.319999999999993 111.117 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -55.71 133.05 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 71.310000000000002 110.877 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.04 137.14 54.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 62.299999999999997 110.848 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -94.26 -50.66 5.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 71.019999999999996 110.868 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -133.66 4.7 3.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 60.310000000000002 110.902 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 tt -102.87 156.95 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 72.329999999999998 111.125 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -104.63 153.69 20.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 73.299999999999997 110.84 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.0 m -73.86 147.38 43.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 74.219999999999999 110.823 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -56.88 177.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 75.409999999999997 110.873 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -57.4 136.51 56.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 74.439999999999998 110.837 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.45 -29.32 12.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 74.430000000000007 112.512 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 mt -110.81 165.62 11.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 71.310000000000002 110.897 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.9 m -135.6 127.96 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 72.200000000000003 111.14 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.4 t -74.23 87.05 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 62.329999999999998 110.863 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt -92.84 148.08 22.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 73.519999999999996 110.827 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.0 m -136.58 114.71 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 75.340000000000003 110.959 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -111.5 95.41 5.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 71.310000000000002 110.884 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.56 -112.99 3.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 72.099999999999994 112.451 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -112.68 24.83 12.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 74.25 110.823 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 t -125.03 146.57 49.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 65.120000000000005 110.873 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 79.4 m -139.83 107.41 5.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 72.549999999999997 110.841 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -141.76 151.56 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 72.409999999999997 111.082 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 98.3 m -75.45 130.98 39.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.122 -0.49 . . . . 53.409999999999997 110.848 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -141.84 131.36 23.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 65.239999999999995 110.833 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.4 tttt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.129999999999995 110.825 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.425 -0.27 . . . . 75.510000000000005 112.425 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.506 ' O ' HD11 ' A' ' 13' ' ' ILE . 20.5 p90 -68.29 -175.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.951 0.405 . . . . 74.299999999999997 110.909 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.8 p -144.64 162.88 35.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 72.329999999999998 110.849 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.53 154.09 21.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 44.329999999999998 111.1 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -108.5 178.79 4.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 55.210000000000001 110.921 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 121.47 9.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 73.140000000000001 110.904 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.97 -19.56 48.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.728 . . . . 65.540000000000006 112.526 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.6 mm -76.03 100.62 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 72.319999999999993 111.16 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -54.92 132.61 47.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 71.310000000000002 110.862 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.82 137.1 54.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 62.299999999999997 110.87 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -94.19 -50.75 5.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 71.019999999999996 110.867 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -133.55 4.45 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 60.310000000000002 110.919 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.506 HD11 ' O ' ' A' ' 2' ' ' TYR . 12.5 tt -102.6 156.92 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 72.329999999999998 111.112 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -103.52 155.09 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.299999999999997 110.838 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.3 m -78.33 148.25 33.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 74.219999999999999 110.88 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.0 m -56.78 174.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 75.409999999999997 110.875 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.1 p -53.4 142.33 22.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 74.439999999999998 110.875 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.78 -26.08 18.2 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.781 -0.723 . . . . 74.430000000000007 112.462 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -119.2 151.62 38.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.901 0.381 . . . . 71.310000000000002 110.818 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 m -126.2 136.86 53.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 72.200000000000003 111.189 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.5 t -70.03 87.16 0.56 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.459 . . . . 62.329999999999998 110.922 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -86.63 146.88 26.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 73.519999999999996 110.88 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.3 m -137.98 114.38 10.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 75.340000000000003 110.806 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -112.86 95.39 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 71.310000000000002 110.839 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.24 -113.04 3.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 72.099999999999994 112.468 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -111.73 24.89 12.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.913 0.387 . . . . 74.25 110.868 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m -125.03 151.74 45.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 65.120000000000005 110.88 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 m -140.07 105.04 4.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 72.549999999999997 110.828 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -135.38 149.91 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 72.409999999999997 111.173 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.3 m -75.31 120.97 21.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 53.409999999999997 110.894 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -137.42 143.83 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 65.239999999999995 110.902 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.6 tttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 72.129999999999995 110.957 179.892 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.476 -0.25 . . . . 75.510000000000005 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -75.73 141.54 42.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.949 0.404 . . . . 74.299999999999997 110.914 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.8 p -145.6 160.72 41.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 72.329999999999998 110.895 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.71 163.58 17.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 44.329999999999998 111.099 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -114.27 172.44 7.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 55.210000000000001 110.905 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 123.6 13.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.140000000000001 110.929 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.5 -18.21 55.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 65.540000000000006 112.482 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.6 mm -75.99 105.42 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 72.319999999999993 111.123 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.24 131.3 37.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 71.310000000000002 110.845 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -124.75 137.1 54.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 62.299999999999997 110.918 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -94.24 -50.73 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 71.019999999999996 110.811 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -133.48 4.31 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 60.310000000000002 110.881 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 tt -102.52 156.99 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 72.329999999999998 111.08 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -113.1 137.87 50.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 73.299999999999997 110.878 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.1 m -65.53 149.04 50.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 74.219999999999999 110.942 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.7 m -52.05 168.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.409999999999997 110.907 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 p -52.31 143.21 15.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 74.439999999999998 110.808 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.67 -19.6 44.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.729 . . . . 74.430000000000007 112.5 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.4 mt -120.95 171.21 8.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 71.310000000000002 110.894 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.1 m -136.63 124.7 22.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.200000000000003 111.179 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.8 t -78.58 87.18 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 62.329999999999998 110.929 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -100.23 148.97 24.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 73.519999999999996 110.917 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.6 m -129.25 114.28 16.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.340000000000003 110.938 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -106.21 123.57 48.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 71.310000000000002 110.888 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.16 -113.18 5.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 72.099999999999994 112.427 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.4 p -112.79 25.4 11.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.369 . . . . 74.25 110.797 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 m -124.99 151.97 44.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 65.120000000000005 110.863 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.6 m -137.36 105.01 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 72.549999999999997 110.955 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.43 151.74 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 72.409999999999997 111.116 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.8 m -84.73 142.93 29.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 53.409999999999997 110.856 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 -141.48 127.88 19.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 65.239999999999995 110.821 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 72.129999999999995 110.82 179.916 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.518 -0.233 . . . . 75.510000000000005 112.518 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -157.25 151.3 24.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.379 . . . . 74.299999999999997 110.949 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.3 p -149.57 151.2 33.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.506 . . . . 72.329999999999998 110.918 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.16 161.8 18.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 44.329999999999998 111.036 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -109.26 177.63 4.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 55.210000000000001 110.807 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -57.95 123.57 16.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 73.140000000000001 110.934 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.44 -20.45 43.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.736 . . . . 65.540000000000006 112.435 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 34.9 mm -76.38 103.41 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 72.319999999999993 111.166 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.36 132.42 50.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.438 . . . . 71.310000000000002 110.888 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.42 137.07 54.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 62.299999999999997 110.803 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -94.3 -50.66 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 71.019999999999996 110.791 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -133.68 4.72 3.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 60.310000000000002 110.906 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.7 tt -102.7 156.73 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 72.329999999999998 111.158 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -104.02 154.25 19.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 73.299999999999997 110.872 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.0 m -74.89 148.15 40.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 74.219999999999999 110.867 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.2 m -56.8 173.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 75.409999999999997 110.897 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 p -52.6 139.5 25.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.872 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.26 -29.23 11.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 74.430000000000007 112.519 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mt -116.15 161.69 18.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.826 0.346 . . . . 71.310000000000002 110.964 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.7 m -134.4 137.5 44.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 72.200000000000003 111.107 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -70.02 87.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 62.329999999999998 110.877 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -87.59 146.72 25.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 73.519999999999996 110.935 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.6 m -137.98 114.63 10.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 75.340000000000003 110.855 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -114.22 96.96 6.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 71.310000000000002 110.934 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.55 -113.0 3.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 72.099999999999994 112.46 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.4 t -112.95 24.98 11.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.859 0.362 . . . . 74.25 110.79 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -125.1 151.81 45.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 65.120000000000005 110.815 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.6 m -140.0 105.06 4.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.511 . . . . 72.549999999999997 110.874 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.45 149.63 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 72.409999999999997 111.138 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.29 122.52 23.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 53.409999999999997 110.897 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -136.97 140.82 42.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 65.239999999999995 110.86 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 72.129999999999995 110.884 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.549 -0.22 . . . . 75.510000000000005 112.549 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -152.29 -179.96 8.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.0 0.429 . . . . 74.299999999999997 110.911 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 p -149.65 164.97 33.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.104 -0.498 . . . . 72.329999999999998 110.848 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.26 155.57 19.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 44.329999999999998 111.122 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -106.98 179.86 4.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 55.210000000000001 110.895 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -58.62 121.93 12.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 73.140000000000001 110.812 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.26 -19.88 47.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.741 . . . . 65.540000000000006 112.502 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.4 mm -76.14 102.14 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.918 0.39 . . . . 72.319999999999993 111.164 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -55.49 133.26 49.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 71.310000000000002 110.946 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.81 137.07 54.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 62.299999999999997 110.873 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -94.29 -50.62 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 71.019999999999996 110.839 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -133.68 4.56 3.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 60.310000000000002 110.881 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.2 tt -102.72 156.91 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 72.329999999999998 111.141 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -104.71 152.18 22.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 73.299999999999997 110.863 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 m -73.03 147.99 44.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.838 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.7 m -57.58 178.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 75.409999999999997 110.914 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.8 p -57.42 138.86 54.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 74.439999999999998 110.86 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.12 -25.55 26.5 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.713 -0.756 . . . . 74.430000000000007 112.469 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.3 mt -117.27 156.85 27.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.925 0.393 . . . . 71.310000000000002 110.902 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.7 m -128.32 138.09 52.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 72.200000000000003 111.087 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.9 t -78.77 87.03 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 62.329999999999998 110.861 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -93.79 146.67 23.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 73.519999999999996 110.885 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.6 m -137.94 114.11 10.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 75.340000000000003 110.891 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -108.87 102.19 11.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 71.310000000000002 110.908 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.56 -113.04 3.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 72.099999999999994 112.484 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -112.68 24.76 12.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 74.25 110.881 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 m -124.92 148.28 48.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 65.120000000000005 110.879 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.87 104.98 5.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 72.549999999999997 110.93 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -137.38 151.86 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 72.409999999999997 111.162 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.0 m -75.7 128.13 34.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 53.409999999999997 110.909 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 -141.94 136.27 30.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 65.239999999999995 110.939 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 72.129999999999995 110.864 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.499 -0.24 . . . . 75.510000000000005 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.423 ' CE2' HD12 ' A' ' 13' ' ' ILE . 22.7 p90 -151.1 148.51 28.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.895 0.379 . . . . 74.299999999999997 111.014 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 p -153.78 169.34 23.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 72.329999999999998 110.916 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.94 155.17 19.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 44.329999999999998 111.12 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -110.5 177.85 4.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 55.210000000000001 110.924 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.87 122.1 10.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.140000000000001 110.919 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.21 -19.96 46.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 65.540000000000006 112.438 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.1 mm -76.08 103.33 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 72.319999999999993 111.174 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -57.35 132.01 51.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 71.310000000000002 110.881 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.99 137.1 54.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 62.299999999999997 110.885 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -94.22 -50.66 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 71.019999999999996 110.887 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -133.65 4.54 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 60.310000000000002 110.918 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.423 HD12 ' CE2' ' A' ' 2' ' ' TYR . 16.6 tt -102.62 156.94 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 72.329999999999998 111.163 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -103.24 153.87 19.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.299999999999997 110.876 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.7 m -78.09 147.68 34.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 74.219999999999999 110.846 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.3 m -56.27 175.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 75.409999999999997 110.839 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 p -55.95 145.1 26.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 74.439999999999998 110.88 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.44 -23.75 30.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 74.430000000000007 112.504 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.3 mt -118.22 163.87 16.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.93 0.395 . . . . 71.310000000000002 110.882 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -133.49 123.76 25.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 72.200000000000003 111.142 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.4 t -71.15 86.98 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 62.329999999999998 110.87 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -102.17 148.62 25.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 73.519999999999996 110.911 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.9 m -130.92 114.0 14.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 75.340000000000003 110.873 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -101.52 96.27 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 71.310000000000002 110.835 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.15 -113.08 3.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 72.099999999999994 112.43 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -111.58 24.51 12.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 74.25 110.848 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t -125.1 151.78 45.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 65.120000000000005 110.818 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.7 m -140.03 105.5 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 72.549999999999997 110.883 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 p -140.79 151.25 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 72.409999999999997 111.125 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.5 m -75.6 135.15 40.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 53.409999999999997 110.89 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.0 mmm-85 -141.53 133.82 28.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 65.239999999999995 110.98 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 72.129999999999995 110.901 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 N-CA-C 112.497 -0.241 . . . . 75.510000000000005 112.497 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -152.02 126.2 9.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.941 0.4 . . . . 74.299999999999997 110.929 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 p -152.04 151.76 31.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 72.329999999999998 110.921 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.64 159.26 19.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 44.329999999999998 111.075 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -109.64 177.47 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 55.210000000000001 110.876 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -55.61 123.0 12.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.509 . . . . 73.140000000000001 110.97 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.54 -19.78 48.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 65.540000000000006 112.486 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mm -76.04 103.96 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 72.319999999999993 111.1 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -57.44 131.82 51.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 71.310000000000002 110.829 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.32 137.0 54.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 62.299999999999997 110.864 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -94.25 -50.6 5.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 71.019999999999996 110.846 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -133.61 4.57 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 60.310000000000002 110.863 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.0 tt -102.73 156.68 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 72.329999999999998 111.088 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -102.78 155.87 18.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 73.299999999999997 110.862 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 m -79.05 148.76 32.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 74.219999999999999 110.894 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.9 m -54.87 172.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 75.409999999999997 110.914 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.9 p -52.57 142.22 18.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.439999999999998 110.887 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.99 -27.29 15.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 74.430000000000007 112.501 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 mt -117.5 154.05 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 71.310000000000002 110.974 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -128.33 136.07 50.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.269 -0.423 . . . . 72.200000000000003 111.172 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.0 t -68.68 87.09 0.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 62.329999999999998 110.875 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -91.39 147.61 22.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 73.519999999999996 110.866 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.1 m -137.89 115.84 11.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 75.340000000000003 110.891 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -112.24 98.64 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 71.310000000000002 110.887 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.73 -113.0 3.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 72.099999999999994 112.507 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 p -111.8 24.88 12.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.923 0.392 . . . . 74.25 110.864 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -125.02 152.03 44.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 65.120000000000005 110.891 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.6 m -139.59 105.03 5.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 72.549999999999997 110.878 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.4 149.75 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 72.409999999999997 111.11 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 97.1 m -77.31 111.15 12.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 53.409999999999997 110.861 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -133.15 144.94 50.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 65.239999999999995 110.872 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 72.129999999999995 110.869 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.5 -0.24 . . . . 75.510000000000005 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.422 ' O ' HD11 ' A' ' 13' ' ' ILE . 50.0 p90 -146.04 164.46 32.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.892 0.377 . . . . 74.299999999999997 110.928 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p -136.71 156.4 48.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 72.329999999999998 110.871 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.63 160.8 18.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 44.329999999999998 111.073 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -112.96 169.92 8.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 55.210000000000001 110.903 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -53.23 121.92 8.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 73.140000000000001 110.935 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.37 -18.65 56.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 65.540000000000006 112.497 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.0 mm -76.04 106.27 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.383 . . . . 72.319999999999993 111.112 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -53.67 129.21 32.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 71.310000000000002 110.914 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -120.82 137.03 54.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 62.299999999999997 110.883 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -94.24 -50.68 5.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 71.019999999999996 110.887 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -133.62 4.76 3.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 60.310000000000002 110.911 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.422 HD11 ' O ' ' A' ' 2' ' ' TYR . 10.3 tt -102.99 156.83 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 72.329999999999998 111.102 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -116.23 126.66 53.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 73.299999999999997 110.871 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.7 m -53.17 148.59 8.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.282 -0.417 . . . . 74.219999999999999 110.836 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m -53.26 171.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 75.409999999999997 110.865 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.0 t -52.2 142.68 16.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.439999999999998 110.849 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.73 -20.03 37.45 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 74.430000000000007 112.493 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mt -125.21 163.88 21.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.923 0.392 . . . . 71.310000000000002 110.882 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 m -129.93 119.13 22.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 72.200000000000003 111.162 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.8 t -70.22 87.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 62.329999999999998 110.876 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -94.52 148.42 22.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 73.519999999999996 110.956 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.3 m -130.64 114.87 15.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 75.340000000000003 110.883 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -111.8 126.82 55.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 71.310000000000002 110.953 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.8 -113.05 3.94 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.764 -0.732 . . . . 72.099999999999994 112.467 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.7 m -112.84 25.18 11.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 74.25 110.9 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -125.01 152.02 44.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 65.120000000000005 110.881 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.6 m -140.03 104.96 4.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 72.549999999999997 110.899 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.484 HG13 ' HD2' ' A' ' 31' ' ' ARG . 10.8 p -139.61 151.79 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 72.409999999999997 111.131 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 95.3 m -84.78 150.85 24.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 53.409999999999997 110.82 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.484 ' HD2' HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -140.18 133.76 30.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 65.239999999999995 110.946 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 72.129999999999995 110.865 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.464 -0.255 . . . . 75.510000000000005 112.464 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -67.79 134.0 50.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 74.299999999999997 110.943 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 p -156.57 158.47 37.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 72.329999999999998 110.855 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.14 159.6 18.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 44.329999999999998 111.09 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -110.58 175.39 5.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 55.210000000000001 110.865 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -53.79 122.38 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 73.140000000000001 110.858 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.15 -19.83 47.05 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.699 -0.763 . . . . 65.540000000000006 112.514 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.0 mm -76.35 102.44 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 72.319999999999993 111.135 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -56.28 132.87 51.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 71.310000000000002 110.852 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -121.17 137.11 54.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 62.299999999999997 110.895 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -94.26 -50.69 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 71.019999999999996 110.827 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -133.69 4.77 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 60.310000000000002 110.841 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 tt -102.92 156.96 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 72.329999999999998 111.162 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -104.94 153.31 21.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 73.299999999999997 110.839 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.5 m -73.79 148.56 42.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 74.219999999999999 110.835 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.9 m -58.89 177.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 75.409999999999997 110.934 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -56.78 138.83 52.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 110.846 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.85 -26.03 25.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.677 -0.773 . . . . 74.430000000000007 112.484 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mt -115.74 164.53 14.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.913 0.387 . . . . 71.310000000000002 110.918 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.7 m -134.03 131.55 39.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 72.200000000000003 111.07 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.7 t -78.26 87.1 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 62.329999999999998 110.904 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -99.15 147.68 24.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 73.519999999999996 110.877 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 99.6 m -132.5 113.96 13.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 75.340000000000003 110.838 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -104.32 97.22 7.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 71.310000000000002 110.877 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.48 -112.94 3.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 72.099999999999994 112.583 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.5 m -112.81 24.62 12.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.356 . . . . 74.25 110.87 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.4 t -124.96 151.3 45.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 65.120000000000005 110.877 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.4 m -139.99 105.04 4.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 72.549999999999997 110.919 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 p -138.62 151.69 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 72.409999999999997 111.071 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 86.7 m -75.87 127.54 33.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 53.409999999999997 110.92 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -140.78 131.59 25.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 65.239999999999995 110.871 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 pttm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 72.129999999999995 110.97 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.533 -0.227 . . . . 75.510000000000005 112.533 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.471 ' O ' HD11 ' A' ' 13' ' ' ILE . 16.1 p90 -166.81 175.45 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.959 0.409 . . . . 74.299999999999997 110.896 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 p -147.44 164.91 31.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 72.329999999999998 110.878 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.01 155.54 19.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 44.329999999999998 111.123 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -108.26 179.12 4.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 55.210000000000001 110.898 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -57.21 120.92 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 73.140000000000001 110.873 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.39 -19.7 48.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.749 . . . . 65.540000000000006 112.464 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.4 mm -76.17 101.88 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.883 0.373 . . . . 72.319999999999993 111.146 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -55.73 133.1 50.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 71.310000000000002 110.864 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 p -120.7 137.08 54.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 62.299999999999997 110.816 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -94.22 -50.73 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 71.019999999999996 110.835 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -133.64 4.75 3.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 60.310000000000002 110.853 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.471 HD11 ' O ' ' A' ' 2' ' ' TYR . 17.8 tt -102.92 156.97 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 72.329999999999998 111.113 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -103.98 154.88 19.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 73.299999999999997 110.817 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.1 m -76.76 147.82 37.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 74.219999999999999 110.889 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.2 m -57.29 177.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 75.409999999999997 110.91 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.72 139.83 49.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.439999999999998 110.884 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.02 -22.88 38.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 74.430000000000007 112.492 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 32' ' ' LYS . 5.1 mt -122.61 162.93 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 71.310000000000002 110.838 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.4 m -135.69 135.81 40.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 72.200000000000003 111.122 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -69.75 87.14 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 62.329999999999998 110.826 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -83.65 146.17 28.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 110.894 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.6 m -138.02 115.42 11.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 75.340000000000003 110.873 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -118.98 96.69 5.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 71.310000000000002 110.869 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.12 -112.98 3.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 72.099999999999994 112.489 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 t -112.74 24.44 12.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.871 0.367 . . . . 74.25 110.905 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -125.07 149.08 48.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 65.120000000000005 110.895 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.5 m -140.01 104.98 4.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 72.549999999999997 110.911 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 p -136.34 151.76 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 72.409999999999997 111.131 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.4 m -75.78 140.6 42.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 53.409999999999997 110.916 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -141.89 137.43 31.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 65.239999999999995 110.813 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' HA ' HD23 ' A' ' 19' ' ' LEU . 52.0 mtmt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 72.129999999999995 110.948 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.499 -0.24 . . . . 75.510000000000005 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -164.68 139.37 5.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.948 0.404 . . . . 74.299999999999997 110.96 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.2 p -154.01 159.24 41.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 72.329999999999998 110.937 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.15 154.45 20.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 44.329999999999998 111.091 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -106.12 179.34 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 55.210000000000001 110.874 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.09 121.15 9.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 73.140000000000001 110.924 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.09 -19.52 48.85 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.756 -0.735 . . . . 65.540000000000006 112.492 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.1 mm -76.3 102.35 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.401 . . . . 72.319999999999993 111.077 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -55.26 136.82 48.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 71.310000000000002 110.943 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 p -124.48 137.15 54.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 62.299999999999997 110.862 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -94.31 -50.58 5.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 71.019999999999996 110.867 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -133.68 4.51 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 60.310000000000002 110.854 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.7 tt -102.57 156.82 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 72.329999999999998 111.114 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -104.4 153.75 20.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 73.299999999999997 110.846 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.5 m -76.38 147.36 38.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 74.219999999999999 110.867 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.0 m -57.55 178.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 75.409999999999997 110.925 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -57.31 139.82 51.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.849 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.68 -23.41 35.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.676 -0.773 . . . . 74.430000000000007 112.499 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 mt -121.09 156.06 33.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.358 . . . . 71.310000000000002 110.934 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.9 m -129.52 135.68 48.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 72.200000000000003 111.171 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.5 t -72.35 87.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 62.329999999999998 110.875 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -85.83 144.57 27.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.519999999999996 110.874 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.9 m -138.06 116.05 11.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 110.895 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -119.84 96.18 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 71.310000000000002 110.944 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.16 -112.99 3.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 72.099999999999994 112.428 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.6 p -112.63 24.72 12.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 74.25 110.866 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -125.07 145.54 49.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 65.120000000000005 110.801 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.3 m -140.02 105.06 4.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 72.549999999999997 110.854 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -138.84 151.57 23.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 72.409999999999997 111.089 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 74.3 m -74.9 139.4 43.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 53.409999999999997 110.914 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -141.83 134.2 28.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 65.239999999999995 110.845 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 72.129999999999995 110.867 -179.968 . . . . . . . . 0 0 . 1 stop_ save_